ChemSpider 2D Image | N-[(5R,6R,7aR)-6-Hydroxy-5,7a-dimethyl-1-oxo-5,6,7,7a-tetrahydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide | C14H20N2O3

N-[(5R,6R,7aR)-6-Hydroxy-5,7a-dimethyl-1-oxo-5,6,7,7a-tetrahydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide

  • Molecular FormulaC14H20N2O3
  • Average mass264.320 Da
  • Monoisotopic mass264.147400 Da
  • ChemSpider ID78437973

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-Butenamide, 3-methyl-N-[(5R,6R,7aR)-5,6,7,7a-tetrahydro-6-hydroxy-5,7a-dimethyl-1-oxo-1H-pyrrolizin-3-yl]- [ACD/Index Name]
N-[(5R,6R,7aR)-6-Hydroxy-5,7a-dimethyl-1-oxo-5,6,7,7a-tetrahydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamid [German] [ACD/IUPAC Name]
N-[(5R,6R,7aR)-6-Hydroxy-5,7a-dimethyl-1-oxo-5,6,7,7a-tetrahydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide [ACD/IUPAC Name]
N-[(5R,6R,7aR)-6-Hydroxy-5,7a-diméthyl-1-oxo-5,6,7,7a-tétrahydro-1H-pyrrolizin-3-yl]-3-méthyl-2-buténamide [French] [ACD/IUPAC Name]
Bohemamine B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.8±6.0 kJ/mol
Flash Point: 248.6±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 71.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.55
ACD/KOC (pH 5.5): 47.62
ACD/LogD (pH 7.4): 0.55
ACD/BCF (pH 7.4): 1.55
ACD/KOC (pH 7.4): 47.62
Polar Surface Area: 70 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 215.8±5.0 cm3

Click to predict properties on the Chemicalize site


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