ChemSpider 2D Image | (2S,3aS,9aS)-1-Allyl-3a-methyl-2-phenyldecahydro-5H-pyrrolo[3,2-b]azocin-5-one | C19H26N2O

(2S,3aS,9aS)-1-Allyl-3a-methyl-2-phenyldecahydro-5H-pyrrolo[3,2-b]azocin-5-one

  • Molecular FormulaC19H26N2O
  • Average mass298.422 Da
  • Monoisotopic mass298.204498 Da
  • ChemSpider ID32797199

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3aS,9aS)-1-Allyl-3a-methyl-2-phenyldecahydro-5H-pyrrolo[3,2-b]azocin-5-on [German] [ACD/IUPAC Name]
(2S,3aS,9aS)-1-Allyl-3a-methyl-2-phenyldecahydro-5H-pyrrolo[3,2-b]azocin-5-one [ACD/IUPAC Name]
(2S,3aS,9aS)-1-Allyl-3a-méthyl-2-phényldécahydro-5H-pyrrolo[3,2-b]azocin-5-one [French] [ACD/IUPAC Name]
5H-Pyrrolo[3,2-b]azocin-5-one, decahydro-3a-methyl-2-phenyl-1-(2-propen-1-yl)-, (2S,3aS,9aS)- [ACD/Index Name]
(2S,3aS,9aS)-3a-methyl-2-phenyl-1-prop-2-enyl-2,3,4,6,7,8,9,9a-octahydropyrrolo[3,2-b]azocin-5-one

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.0±0.1 g/cm3
    Boiling Point: 457.0±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.7±3.0 kJ/mol
    Flash Point: 230.2±27.3 °C
    Index of Refraction: 1.533
    Molar Refractivity: 89.3±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.73
    ACD/LogD (pH 5.5): 0.44
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.02
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 16.22
    ACD/KOC (pH 7.4): 152.18
    Polar Surface Area: 32 Å2
    Polarizability: 35.4±0.5 10-24cm3
    Surface Tension: 36.3±3.0 dyne/cm
    Molar Volume: 287.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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