2-Oxo-1-pyrrolidinecarboxamide

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  • Identifiers

    CAS number
    40451-67-0

    Molecular formula
    C5H8N2O2

    SMILES
    C1CC(=O)N(C1)C(=O)N

    Safety labels

  • Odor profile

    Fragrance
    Odorless 62.41%
    Sweet 25.75%
    Nutty 22.99%
    Burnt 22.23%
    Popcorn 21.74%
    Cooling 21.11%
    Savory 20.34%
    Roasted 19.93%
    Fishy 17.97%
    Bitter 16.97%

     

    Flavor
    Bitter 43.49%
    Odorless 36.03%
    Roasted 23.89%
    Cooked 22.22%
    Nutty 22.14%
    Very mild 21.96%
    Taco 21.37%
    Yeast 20.8%
    Bread crust 20.55%
    Nitrile 20.48%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    -0.1

    pKa est.
    7.65 (neutral)

    Molecular weight
    128.13 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    344°C

    Melting point expt.

    • 148 °C

    Flash point

    • 148.25 ˚C est.

  • Synonyms

    • squamolone
    • 40451-67-0
    • 2-Oxo-1-pyrrolidinecarboxamide
    • DTXSID70316140
    • RefChem:1064037
    • DTXCID10267263
    • 2-oxopyrrolidine-1-carboxamide
    • 1-Pyrrolidinecarboxamide,2-oxo-(9CI)
    • 1-Carbamoyl-2-pyrrolidone
    • NSC299939
    • BAS 03439482
    • 2-oxopyrrolidinecarboxamide
    • 1-Carbamoyl-2-pyrrolidone;
    • CHEMBL506960
    • orb1680395
    • SCHEMBL1051734
    • SCHEMBL1051735
    • SCHEMBL2687748
    • SCHEMBL4697679
    • SCHEMBL14742171
    • l-Pyrrolid-2-one, N-carbamoyl-
    • 1-Pyrrolidinecarboxamide, 2-oxo-
    • 2-Oxo-1-pyrrolidinecarboxamide #
    • CHEBI:173482
    • XYVMBSCIEDOIJQ-UHFFFAOYSA-N
    • HMS1683M07
    • SBB085717
    • STL564923
    • 2-Oxo-1-pyrrolidinecarboxamide, 9CI
    • AKOS000669988
    • NSC-299939
    • DB-268755
    • CS-0169556
    • AG-664/32145004
    • 40451-67-0

  • Applications

    2-Oxo-1-pyrrolidinecarboxamide (CAS 40451-67-0) is primarily used as an intermediate in pharmaceutical and fine chemical synthesis; it serves as a versatile building block for lactam/pyrrolidinone derivatives and related heterocycles with potential activity or function. In industrial chemical manufacturing it is used as a precursor for polymer-lactam and related plastic materials, and as a reactive intermediate in coatings and adhesive formulations to introduce a lactam motif. It is also explored as a functional starting point for heterocyclic chemistries in research and as a scaffold for new compound development. Its use is subject to local regulations and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 39.08
    methanol 95.96
    isopropanol 20.01
    water 58.13
    ethyl acetate 15.37
    n-propanol 22.21
    acetone 36.3
    n-butanol 15.04
    acetonitrile 37.57
    DMF 162.12
    toluene 2.7
    isobutanol 13.27
    1,4-dioxane 22.62
    methyl acetate 21.81
    THF 52.91
    2-butanone 20.94
    n-pentanol 12.63
    sec-butanol 13.91
    n-hexane 0.22
    ethylene glycol 46.41
    NMP 169.95
    cyclohexane 0.11
    DMSO 194.63
    n-butyl acetate 7.5
    n-octanol 4.09
    chloroform 15.29
    n-propyl acetate 8.65
    acetic acid 148.16
    dichloromethane 23.57
    cyclohexanone 28.19
    propylene glycol 43.01
    isopropyl acetate 8.26
    DMAc 118.02
    2-ethoxyethanol 43.57
    isopentanol 12.85
    n-heptane 0.18
    ethyl formate 25.87
    1,2-dichloroethane 10.98
    n-hexanol 6.86
    2-methoxyethanol 92.25
    isobutyl acetate 5.61
    tetrachloromethane 1.64
    n-pentyl acetate 7.12
    transcutol 58.2
    n-heptanol 4.38
    ethylbenzene 1.22
    MIBK 10.69
    2-propoxyethanol 31.62
    tert-butanol 15.47
    MTBE 5.41
    2-butoxyethanol 17.95
    propionic acid 45.93
    o-xylene 2.45
    formic acid 194.93
    diethyl ether 5.02
    m-xylene 2.87
    p-xylene 2.18
    chlorobenzene 6.88
    dimethyl carbonate 15.37
    n-octane 0.11
    formamide 184.81
    cyclopentanone 58.68
    2-pentanone 15.33
    anisole 7.61
    cyclopentyl methyl ether 10.7
    gamma-butyrolactone 103.4
    1-methoxy-2-propanol 54.3
    pyridine 25.89
    3-pentanone 9.53
    furfural 104.33
    n-dodecane 0.14
    diethylene glycol 46.99
    diisopropyl ether 1.32
    tert-amyl alcohol 12.51
    acetylacetone 24.85
    n-hexadecane 0.16
    acetophenone 13.01
    methyl propionate 19.14
    isopentyl acetate 7.51
    trichloroethylene 27.18
    n-nonanol 3.77
    cyclohexanol 8.63
    benzyl alcohol 14.19
    2-ethylhexanol 3.61
    isooctanol 3.82
    dipropyl ether 2.65
    1,2-dichlorobenzene 7.14
    ethyl lactate 13.83
    propylene carbonate 41.63
    n-methylformamide 99.62
    2-pentanol 7.6
    n-pentane 0.2
    1-propoxy-2-propanol 16.96
    1-methoxy-2-propyl acetate 14.91
    2-(2-methoxypropoxy) propanol 20.89
    mesitylene 1.69
    ε-caprolactone 30.75
    p-cymene 1.55
    epichlorohydrin 62.0
    1,1,1-trichloroethane 6.53
    2-aminoethanol 54.78
    morpholine-4-carbaldehyde 96.55
    sulfolane 117.19
    2,2,4-trimethylpentane 0.24
    2-methyltetrahydrofuran 21.65
    n-hexyl acetate 9.33
    isooctane 0.18
    2-(2-butoxyethoxy)ethanol 23.96
    sec-butyl acetate 5.41
    tert-butyl acetate 8.6
    decalin 0.22
    glycerin 77.6
    diglyme 36.19
    acrylic acid 66.57
    isopropyl myristate 3.59
    n-butyric acid 35.92
    acetyl acetate 13.29
    di(2-ethylhexyl) phthalate 8.94
    ethyl propionate 8.05
    nitromethane 189.65
    1,2-diethoxyethane 8.07
    benzonitrile 16.42
    trioctyl phosphate 5.55
    1-bromopropane 3.72
    gamma-valerolactone 94.78
    n-decanol 2.82
    triethyl phosphate 6.02
    4-methyl-2-pentanol 5.0
    propionitrile 15.88
    vinylene carbonate 43.12
    1,1,2-trichlorotrifluoroethane 60.48
    DMS 13.94
    cumene 1.3
    2-octanol 2.96
    2-hexanone 9.78
    octyl acetate 5.41
    limonene 1.95
    1,2-dimethoxyethane 37.03
    ethyl orthosilicate 4.92
    tributyl phosphate 6.42
    diacetone alcohol 22.5
    N,N-dimethylaniline 6.54
    acrylonitrile 33.04
    aniline 11.62
    1,3-propanediol 52.15
    bromobenzene 4.36
    dibromomethane 9.38
    1,1,2,2-tetrachloroethane 15.91
    2-methyl-cyclohexyl acetate 7.37
    tetrabutyl urea 9.4
    diisobutyl methanol 2.35
    2-phenylethanol 11.04
    styrene 1.57
    dioctyl adipate 7.65
    dimethyl sulfate 43.03
    ethyl butyrate 6.69
    methyl lactate 28.66
    butyl lactate 11.2
    diethyl carbonate 5.91
    propanediol butyl ether 23.83
    triethyl orthoformate 5.72
    p-tert-butyltoluene 1.47
    methyl 4-tert-butylbenzoate 16.39
    morpholine 35.64
    tert-butylamine 5.1
    n-dodecanol 2.08
    dimethoxymethane 40.67
    ethylene carbonate 27.53
    cyrene 33.77
    2-ethoxyethyl acetate 13.35
    2-ethylhexyl acetate 5.47
    1,2,4-trichlorobenzene 11.03
    4-methylpyridine 24.5
    dibutyl ether 2.35
    2,6-dimethyl-4-heptanol 2.35
    DEF 24.94
    dimethyl isosorbide 31.18
    tetrachloroethylene 8.7
    eugenol 19.39
    triacetin 15.72
    span 80 16.78
    1,4-butanediol 24.86
    1,1-dichloroethane 8.07
    2-methyl-1-pentanol 10.13
    methyl formate 71.23
    2-methyl-1-butanol 12.19
    n-decane 0.21
    butyronitrile 14.71
    3,7-dimethyl-1-octanol 4.02
    1-chlorooctane 1.16
    1-chlorotetradecane 0.57
    n-nonane 0.17
    undecane 0.17
    tert-butylcyclohexane 0.25
    cyclooctane 0.07
    cyclopentanol 18.26
    tetrahydropyran 8.3
    tert-amyl methyl ether 5.53
    2,5,8-trioxanonane 29.31
    1-hexene 1.08
    2-isopropoxyethanol 21.6
    2,2,2-trifluoroethanol 68.2
    methyl butyrate 12.24

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
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Rinse-off products applied to the hair with some hand contact
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Category 2
Products applied to the axillae
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Leave-on products applied to the hair with some hand contact
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Category 3
Products applied to the face/body using fingertips
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Products with significant anogenital exposure
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Category 4
Products related to fine fragrance
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Products with body and hand exposure, primarily rinse off
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Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction