ChemSpider 2D Image | (3R,8aS)-3-[(~2~H_7_)-2-Propanyl](3-~2~H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C10H8D8N2O2

(3R,8aS)-3-[(2H7)-2-Propanyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC10H8D8N2O2
  • Average mass204.296 Da
  • Monoisotopic mass204.171387 Da
  • ChemSpider ID128919218

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,8aS)-3-[(2H7)-2-Propanyl](3-2H)hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3R,8aS)-3-[(2H7)-2-Propanyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3R,8aS)-3-[(2H7)-2-Propanyl](3-2H)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione-3-d, hexahydro-3-[1-(methyl-d3)ethyl-1,2,2,2-d4]-, (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: 420.7±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.5±3.0 kJ/mol
Flash Point: 208.2±25.7 °C
Index of Refraction: 1.535
Molar Refractivity: 52.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.37
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.92
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.92
Polar Surface Area: 49 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 166.9±5.0 cm3

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