ChemSpider 2D Image | (8aS)-3-(1H-Indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C16H17N3O2

(8aS)-3-(1H-Indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC16H17N3O2
  • Average mass283.325 Da
  • Monoisotopic mass283.132080 Da
  • ChemSpider ID75536011

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(8aS)-3-(1H-Indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(8aS)-3-(1H-Indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(8aS)-3-(1H-Indol-3-ylméthyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-(1H-indol-3-ylmethyl)-, (8aS)- [ACD/Index Name]
38136-70-8 [RN]
brevianamide F

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

Density: 1.4±0.1 g/cm3
Boiling Point: 633.2±48.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±29.6 °C
Index of Refraction: 1.690
Molar Refractivity: 78.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.85
ACD/KOC (pH 5.5): 53.96
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.85
ACD/KOC (pH 7.4): 53.96
Polar Surface Area: 65 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 206.5±5.0 cm3

Click to predict properties on the Chemicalize site


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