ChemSpider 2D Image | (3R,8aS)-3-Benzyl-2-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C15H18N2O2

(3R,8aS)-3-Benzyl-2-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC15H18N2O2
  • Average mass258.316 Da
  • Monoisotopic mass258.136841 Da
  • ChemSpider ID30654554

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,8aS)-3-Benzyl-2-methylhexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3R,8aS)-3-Benzyl-2-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3R,8aS)-3-Benzyl-2-méthylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-2-methyl-3-(phenylmethyl)-, (3R,8aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 473.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 225.3±18.0 °C
Index of Refraction: 1.610
Molar Refractivity: 72.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): 1.20
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 107.04
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 4.80
ACD/KOC (pH 7.4): 107.04
Polar Surface Area: 41 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 208.5±5.0 cm3

Click to predict properties on the Chemicalize site


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