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
C19H26N2O

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

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






Advertisement