ChemSpider 2D Image | (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate | C15H19NO2

(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate

  • Molecular FormulaC15H19NO2
  • Average mass245.317 Da
  • Monoisotopic mass245.141586 Da
  • ChemSpider ID21489769

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3aS,6aS)-Octahydrocyclopenta[b]pyrrole-2-carboxylate de benzyle [French] [ACD/IUPAC Name]
93779-31-8 [RN]
Benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate [ACD/IUPAC Name]
Benzyl-(2S,3aS,6aS)-octahydrocyclopenta[b]pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[b]pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, (2S,3aS,6aS)- [ACD/Index Name]
Phenylmethyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3as,6AS)-benzyl octahydrocyclopentabpyrrole-2-c arboxylate
(2S,3aS,6aS)-Benzyloctahydrocyclopenta[b]pyrrole-2-carboxylate
(2S,3as,6AS)-octahydro-cyclopentabpyrrole-2-carboxylic acid, phenylmethyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 360.3±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.6±3.0 kJ/mol
    Flash Point: 171.7±23.2 °C
    Index of Refraction: 1.549
    Molar Refractivity: 69.1±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.78
    ACD/LogD (pH 7.4): 1.60
    ACD/BCF (pH 7.4): 3.41
    ACD/KOC (pH 7.4): 24.34
    Polar Surface Area: 38 Å2
    Polarizability: 27.4±0.5 10-24cm3
    Surface Tension: 41.9±3.0 dyne/cm
    Molar Volume: 217.3±3.0 cm3

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