ChemSpider 2D Image | tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate | C12H20N2O3

tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate

  • Molecular FormulaC12H20N2O3
  • Average mass240.299 Da
  • Monoisotopic mass240.147400 Da
  • ChemSpider ID23500362

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-[(Diméthylamino)méthylène]-4-oxo-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
157327-42-9 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(dimethylamino)methylene]-4-oxo-, 1,1-dimethylethyl ester, (3E)- [ACD/Index Name]
2-Methyl-2-propanyl (3E)-3-[(dimethylamino)methylene]-4-oxo-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3E)-3-[(dimethylamino)methylen]-4-oxo-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
MFCD11616027 [MDL number]
tert-Butyl (3E)-3-[(dimethylamino)methylene]-4-oxopyrrolidine-1-carboxylate
tert-butyl (E)-3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
tert-Butyl 3-((dimethylamino)methylene)-4-oxopyrrolidine-1-carboxylate
(E)-tert-butyl 3-((dimethylamino)methyl ene)-4-oxopyrrolidine-1-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

    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: 1.29
    ACD/LogD (pH 5.5): 1.29
    ACD/BCF (pH 5.5): 5.11
    ACD/KOC (pH 5.5): 98.73
    ACD/LogD (pH 7.4): 1.48
    ACD/BCF (pH 7.4): 7.86
    ACD/KOC (pH 7.4): 152.02
    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

    Click to predict properties on the Chemicalize site


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