ChemSpider 2D Image | (3R,7S,8aR)-7-Hydroxy-3-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C8H12N2O3

(3R,7S,8aR)-7-Hydroxy-3-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC8H12N2O3
  • Average mass184.193 Da
  • Monoisotopic mass184.084793 Da
  • ChemSpider ID24215522

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3R,7S,8aR)-7-Hydroxy-3-methylhexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3R,7S,8aR)-7-Hydroxy-3-methylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3R,7S,8aR)-7-Hydroxy-3-méthylhexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
356787-21-8 [RN]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-3-methyl-, (3R,7S,8aR)- [ACD/Index Name]
(3R,7S,8AS)-7-HYDROXY-3-METHYLHEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-7-hydroxy-3-methyl-, (3R,7S,8aR)- (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 503.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.9±6.0 kJ/mol
Flash Point: 258.1±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 44.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -3.53
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -2.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.57
Polar Surface Area: 70 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 131.6±5.0 cm3

Click to predict properties on the Chemicalize site


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