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Search term: 27023892 (Found by CSID)
ChemSpider 2D Image | brevianamide K | C21H21N3O2

brevianamide K

  • Molecular FormulaC21H21N3O2
  • Average mass347.410 Da
  • Monoisotopic mass347.163391 Da
  • ChemSpider ID27023892

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z)-3-{[2-(2-Methyl-3-buten-2-yl)-1H-indol-3-yl]methylen}-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazin-1,4-dion [German] [ACD/IUPAC Name]
(3Z)-3-{[2-(2-Methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione [ACD/IUPAC Name]
(3Z)-3-{[2-(2-Méthyl-3-butén-2-yl)-1H-indol-3-yl]méthylène}-2,3,6,7-tétrahydropyrrolo[1,2-a]pyrazine-1,4-dione [French] [ACD/IUPAC Name]
brevianamide K
Pyrrolo[1,2-a]pyrazine-1,4-dione, 3-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-2,3,6,7-tetrahydro-, (3Z)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 684.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.9±31.5 °C
Index of Refraction: 1.680
Molar Refractivity: 101.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.22
ACD/LogD (pH 5.5): 2.85
ACD/BCF (pH 5.5): 86.15
ACD/KOC (pH 5.5): 845.01
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.15
ACD/KOC (pH 7.4): 845.00
Polar Surface Area: 65 Å2
Polarizability: 40.1±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 267.9±5.0 cm3

Click to predict properties on the Chemicalize site


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