ChemSpider 2D Image | 1,1-Dimethylethyl 3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate | C12H20N2O3

1,1-Dimethylethyl 3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID24746199

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,1-Dimethylethyl 3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate
157327-42-9 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[(dimethylamino)methylen]-4-oxo-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
3-[(Diméthylamino)méthylène]-4-oxo-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(Z)-tert-butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
3-(dimethylaminomethylidene)-4-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester
3-Dimethylaminomethylene-4-oxo-pyrrolidine-1-carboxylic acid tert-butyl ester
905274-02-4 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 341.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.5±3.0 kJ/mol
    Flash Point: 160.1±27.9 °C
    Index of Refraction: 1.561
    Molar Refractivity: 66.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.12
    ACD/LogD (pH 5.5): 1.22
    ACD/BCF (pH 5.5): 4.52
    ACD/KOC (pH 5.5): 90.40
    ACD/LogD (pH 7.4): 1.41
    ACD/BCF (pH 7.4): 6.95
    ACD/KOC (pH 7.4): 139.19
    Polar Surface Area: 50 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 204.4±3.0 cm3

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