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Search term: 58196620 (Found by CSID)
ChemSpider 2D Image | N-[(5S,7aS)-5,7a-Dimethyl-1-oxo-5,7a-dihydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide | C14H18N2O2

N-[(5S,7aS)-5,7a-Dimethyl-1-oxo-5,7a-dihydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide

  • Molecular FormulaC14H18N2O2
  • Average mass246.305 Da
  • Monoisotopic mass246.136826 Da
  • ChemSpider ID58196620

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Butenamide, N-[(5S,7aS)-5,7a-dihydro-5,7a-dimethyl-1-oxo-1H-pyrrolizin-3-yl]-3-methyl- [ACD/Index Name]
N-[(5S,7aS)-5,7a-Dimethyl-1-oxo-5,7a-dihydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamid [German] [ACD/IUPAC Name]
N-[(5S,7aS)-5,7a-Dimethyl-1-oxo-5,7a-dihydro-1H-pyrrolizin-3-yl]-3-methyl-2-butenamide [ACD/IUPAC Name]
N-[(5S,7aS)-5,7a-Diméthyl-1-oxo-5,7a-dihydro-1H-pyrrolizin-3-yl]-3-méthyl-2-buténamide [French] [ACD/IUPAC Name]
Bohemamine F

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

Density: 1.2±0.1 g/cm3
Boiling Point: 438.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.5±3.0 kJ/mol
Flash Point: 219.0±28.7 °C
Index of Refraction: 1.576
Molar Refractivity: 69.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.59
ACD/LogD (pH 5.5): 1.11
ACD/BCF (pH 5.5): 4.11
ACD/KOC (pH 5.5): 95.71
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 4.11
ACD/KOC (pH 7.4): 95.71
Polar Surface Area: 49 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 211.1±5.0 cm3

Click to predict properties on the Chemicalize site


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