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Search term: 78438225 (Found by CSID)
ChemSpider 2D Image | (3S,8aS)-3-{[1-(3-Methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione | C21H25N3O2

(3S,8aS)-3-{[1-(3-Methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

  • Molecular FormulaC21H25N3O2
  • Average mass351.442 Da
  • Monoisotopic mass351.194672 Da
  • ChemSpider ID78438225

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,8aS)-3-{[1-(3-Methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3S,8aS)-3-{[1-(3-Methyl-2-buten-1-yl)-1H-indol-3-yl]methyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3S,8aS)-3-{[1-(3-Méthyl-2-butén-1-yl)-1H-indol-3-yl]méthyl}hexahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
Pyrrolo[1,2-a]pyrazine-1,4-dione, hexahydro-3-[[1-(3-methyl-2-buten-1-yl)-1H-indol-3-yl]methyl]-, (3S,8aS)- [ACD/Index Name]
N-prenyl-cyclo-L-tryptophyl-L-proline

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

Density: 1.3±0.1 g/cm3
Boiling Point: 625.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.6±3.0 kJ/mol
Flash Point: 332.1±31.5 °C
Index of Refraction: 1.657
Molar Refractivity: 101.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 26.24
ACD/KOC (pH 5.5): 360.88
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 26.24
ACD/KOC (pH 7.4): 360.88
Polar Surface Area: 54 Å2
Polarizability: 40.2±0.5 10-24cm3
Surface Tension: 49.3±7.0 dyne/cm
Molar Volume: 275.6±7.0 cm3

Click to predict properties on the Chemicalize site


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