ChemSpider 2D Image | (4aR,7aS)-6-Methyl-5-oxooctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxamide | C9H15N3O2

(4aR,7aS)-6-Methyl-5-oxooctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxamide

  • Molecular FormulaC9H15N3O2
  • Average mass197.234 Da
  • Monoisotopic mass197.116425 Da
  • ChemSpider ID81366756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,7aS)-6-Methyl-5-oxooctahydro-1H-pyrrolo[3,4-b]pyridin-1-carboxamid [German] [ACD/IUPAC Name]
(4aR,7aS)-6-Methyl-5-oxooctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxamide [ACD/IUPAC Name]
(4aR,7aS)-6-Méthyl-5-oxooctahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxamide [French] [ACD/IUPAC Name]
1H-Pyrrolo[3,4-b]pyridine-1-carboxamide, octahydro-6-methyl-5-oxo-, (4aR,7aS)- [ACD/Index Name]
2408935-70-4 [RN]
MFCD32268786
rac-(4aR,7aS)-6-methyl-5-oxo-octahydro-1H-pyrrolo[3,4-b]pyridine-1-carboxamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 395.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.6±3.0 kJ/mol
Flash Point: 193.0±30.7 °C
Index of Refraction: 1.552
Molar Refractivity: 50.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -1.63
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 16.83
ACD/LogD (pH 7.4): -0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.83
Polar Surface Area: 67 Å2
Polarizability: 20.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 157.7±3.0 cm3

Click to predict properties on the Chemicalize site


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