ChemSpider 2D Image | tert-butyl 4-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate | C12H19NO3

tert-butyl 4-oxo-octahydrocyclopenta[c]pyrrole-2-carboxylate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID21108015

More details:

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

130658-14-9 [RN]
2-Methyl-2-propanyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-oxohexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
4-Oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
4-Oxohexahydrocyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
4-Oxo-hexahydro-cyclopenta[c]pyrrole-2-carboxylic acid tert-butyl ester
879686-42-7 [RN]
cis-tert-Butyl 4-oxohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, hexahydro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
MFCD06658358 [MDL number]

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


    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.1±0.1 g/cm3
    Boiling Point: 325.8±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 56.8±3.0 kJ/mol
    Flash Point: 150.8±23.2 °C
    Index of Refraction: 1.507
    Molar Refractivity: 58.8±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.63
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.52
    ACD/KOC (pH 5.5): 236.30
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.52
    ACD/KOC (pH 7.4): 236.30
    Polar Surface Area: 47 Å2
    Polarizability: 23.3±0.5 10-24cm3
    Surface Tension: 41.2±3.0 dyne/cm
    Molar Volume: 197.7±3.0 cm3

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