2-(1-Pyrrolidinyl)-2-cyclopenten-1-one

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  • Identifiers

    CAS number
    36287-24-8

    Molecular formula
    C9H13NO

    SMILES
    C1CCN(C1)C2=CCCC2=O

    Safety labels

  • Odor profile

    Fragrance
    Nutty 51.98%
    Roasted 45.1%
    Popcorn 41.26%
    Burnt 32.0%
    Caramellic 31.74%
    Fishy 31.18%
    Sweet 28.67%
    Earthy 22.24%
    Animal 20.26%
    Musty 20.23%

     

    Flavor
    Bitter 61.07%
    Animal 28.16%
    Alkaline 22.04%
    Shrimp 21.65%
    Cereal 20.88%
    Lovage 20.19%
    Cedarleaf 19.83%
    Roasted 19.73%
    Taco 19.63%
    Very strong 19.57%

     

    Odor impact est.
    High

  • Properties

    XLogP3-AA
    1.4

    pKa est.
    7.31 (neutral)

    Molecular weight
    151.21 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Slow

    Boiling point est.
    257°C

    Flash point

    • 111.41 ˚C est.

  • Synonyms

    • 2-(1-pyrrolidinyl)-2-cyclopenten-1-one
    • 2-(pyrrolidin-1-yl)cyclopent-2-en-1-one
    • 36287-24-8
    • RefChem:83847
    • ZWFIWLWLIXMBEA-UHFFFAOYSA-N
    • 2-pyrrolidin-1-ylcyclopent-2-en-1-one
    • SCHEMBL12500834
    • CHEBI:173409
    • DTXSID101281816
    • 2-(1-pyrrolidinyl)-2-cyclopentenone
    • 36287-24-8

  • Applications

    2-(1-Pyrrolidinyl)-2-cyclopenten-1-one (CAS 36287-24-8) is primarily used as a synthetic intermediate in pharmaceutical and specialty chemical applications, serving as a building block for the preparation of heterocyclic amines and related drug-like scaffolds. In medicinal chemistry and drug discovery, it is often employed for functionalization of the pyrrolidin and cyclopentenone moieties to construct novel compounds. It is also encountered as a precursor in research and development projects aimed at library generation and exploration of heterocyclic systems. In chemical manufacturing, it may be supplied as a specialty intermediate for downstream transformations, including ring modifications and functional-group interconversions, subject to regulatory requirements and formulation constraints.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 461.2
    methanol 915.27
    isopropanol 287.17
    water 26.06
    ethyl acetate 268.9
    n-propanol 331.41
    acetone 440.51
    n-butanol 299.99
    acetonitrile 433.8
    DMF 762.63
    toluene 145.46
    isobutanol 267.05
    1,4-dioxane 399.35
    methyl acetate 289.85
    THF 506.1
    2-butanone 325.37
    n-pentanol 221.44
    sec-butanol 227.41
    n-hexane 18.53
    ethylene glycol 327.18
    NMP 603.34
    cyclohexane 22.57
    DMSO 708.5
    n-butyl acetate 178.38
    n-octanol 140.65
    chloroform 1573.81
    n-propyl acetate 175.77
    acetic acid 653.86
    dichloromethane 1433.67
    cyclohexanone 431.07
    propylene glycol 258.53
    isopropyl acetate 186.03
    DMAc 517.4
    2-ethoxyethanol 412.98
    isopentanol 252.03
    n-heptane 14.92
    ethyl formate 301.9
    1,2-dichloroethane 629.22
    n-hexanol 183.57
    2-methoxyethanol 655.91
    isobutyl acetate 125.41
    tetrachloromethane 202.44
    n-pentyl acetate 163.3
    transcutol 825.71
    n-heptanol 126.54
    ethylbenzene 92.56
    MIBK 188.84
    2-propoxyethanol 395.32
    tert-butanol 240.91
    MTBE 174.45
    2-butoxyethanol 281.63
    propionic acid 385.89
    o-xylene 110.49
    formic acid 446.09
    diethyl ether 178.34
    m-xylene 125.42
    p-xylene 119.01
    chlorobenzene 353.1
    dimethyl carbonate 158.88
    n-octane 10.63
    formamide 402.18
    cyclopentanone 560.54
    2-pentanone 271.06
    anisole 211.29
    cyclopentyl methyl ether 241.05
    gamma-butyrolactone 687.67
    1-methoxy-2-propanol 440.88
    pyridine 462.89
    3-pentanone 210.09
    furfural 726.93
    n-dodecane 14.07
    diethylene glycol 422.92
    diisopropyl ether 66.95
    tert-amyl alcohol 200.35
    acetylacetone 345.56
    n-hexadecane 15.63
    acetophenone 230.05
    methyl propionate 235.4
    isopentyl acetate 159.63
    trichloroethylene 1285.09
    n-nonanol 113.96
    cyclohexanol 207.48
    benzyl alcohol 231.52
    2-ethylhexanol 105.07
    isooctanol 109.73
    dipropyl ether 93.47
    1,2-dichlorobenzene 332.09
    ethyl lactate 159.05
    propylene carbonate 412.2
    n-methylformamide 511.74
    2-pentanol 179.39
    n-pentane 20.0
    1-propoxy-2-propanol 226.73
    1-methoxy-2-propyl acetate 195.8
    2-(2-methoxypropoxy) propanol 210.02
    mesitylene 85.65
    ε-caprolactone 382.29
    p-cymene 70.74
    epichlorohydrin 686.14
    1,1,1-trichloroethane 531.71
    2-aminoethanol 401.95
    morpholine-4-carbaldehyde 609.86
    sulfolane 756.61
    2,2,4-trimethylpentane 19.17
    2-methyltetrahydrofuran 328.59
    n-hexyl acetate 240.19
    isooctane 16.74
    2-(2-butoxyethoxy)ethanol 294.23
    sec-butyl acetate 131.39
    tert-butyl acetate 179.26
    decalin 26.37
    glycerin 433.4
    diglyme 507.65
    acrylic acid 454.64
    isopropyl myristate 88.16
    n-butyric acid 425.96
    acetyl acetate 245.56
    di(2-ethylhexyl) phthalate 107.45
    ethyl propionate 166.42
    nitromethane 764.51
    1,2-diethoxyethane 193.52
    benzonitrile 358.82
    trioctyl phosphate 77.69
    1-bromopropane 285.1
    gamma-valerolactone 654.18
    n-decanol 83.43
    triethyl phosphate 91.27
    4-methyl-2-pentanol 118.69
    propionitrile 339.62
    vinylene carbonate 437.73
    1,1,2-trichlorotrifluoroethane 605.46
    DMS 204.17
    cumene 82.55
    2-octanol 91.36
    2-hexanone 187.92
    octyl acetate 117.32
    limonene 86.96
    1,2-dimethoxyethane 399.73
    ethyl orthosilicate 83.19
    tributyl phosphate 89.82
    diacetone alcohol 232.15
    N,N-dimethylaniline 150.18
    acrylonitrile 513.67
    aniline 246.49
    1,3-propanediol 400.48
    bromobenzene 369.18
    dibromomethane 823.71
    1,1,2,2-tetrachloroethane 880.23
    2-methyl-cyclohexyl acetate 124.35
    tetrabutyl urea 116.41
    diisobutyl methanol 70.06
    2-phenylethanol 189.72
    styrene 123.85
    dioctyl adipate 124.67
    dimethyl sulfate 289.77
    ethyl butyrate 141.41
    methyl lactate 225.61
    butyl lactate 156.11
    diethyl carbonate 112.05
    propanediol butyl ether 290.23
    triethyl orthoformate 103.51
    p-tert-butyltoluene 66.17
    methyl 4-tert-butylbenzoate 204.84
    morpholine 405.28
    tert-butylamine 154.65
    n-dodecanol 65.41
    dimethoxymethane 376.7
    ethylene carbonate 321.53
    cyrene 219.58
    2-ethoxyethyl acetate 214.5
    2-ethylhexyl acetate 123.73
    1,2,4-trichlorobenzene 388.14
    4-methylpyridine 419.33
    dibutyl ether 110.7
    2,6-dimethyl-4-heptanol 70.06
    DEF 333.54
    dimethyl isosorbide 286.82
    tetrachloroethylene 625.56
    eugenol 218.56
    triacetin 216.33
    span 80 180.96
    1,4-butanediol 233.22
    1,1-dichloroethane 610.49
    2-methyl-1-pentanol 188.41
    methyl formate 431.63
    2-methyl-1-butanol 244.7
    n-decane 20.77
    butyronitrile 320.34
    3,7-dimethyl-1-octanol 118.34
    1-chlorooctane 88.83
    1-chlorotetradecane 39.42
    n-nonane 18.88
    undecane 16.59
    tert-butylcyclohexane 26.33
    cyclooctane 11.13
    cyclopentanol 266.89
    tetrahydropyran 253.85
    tert-amyl methyl ether 143.14
    2,5,8-trioxanonane 315.44
    1-hexene 77.0
    2-isopropoxyethanol 266.13
    2,2,2-trifluoroethanol 322.81
    methyl butyrate 228.46

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
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