ChemSpider 2D Image | (3E,5aS,10bR,11aR)-3-(1H-Imidazol-4-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione | C22H23N5O2

(3E,5aS,10bR,11aR)-3-(1H-Imidazol-4-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione

  • Molecular FormulaC22H23N5O2
  • Average mass389.450 Da
  • Monoisotopic mass389.185181 Da
  • ChemSpider ID62422816

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3E,5aS,10bR,11aR)-3-(1H-Imidazol-4-ylmethylen)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,4(3H,5aH)-dion [German] [ACD/IUPAC Name]
(3E,5aS,10bR,11aR)-3-(1H-Imidazol-4-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [ACD/IUPAC Name]
(3E,5aS,10bR,11aR)-3-(1H-Imidazol-4-ylméthylène)-10b-(2-méthyl-3-butén-2-yl)-6,10b,11,11a-tétrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [French] [ACD/IUPAC Name]
(3E,5aS,10bR,11aR)-3-(1H-Imidazol-5-ylmethylen)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indol-1,4(3H,5aH)-dion [German] [ACD/IUPAC Name]
(3E,5aS,10bR,11aR)-3-(1H-Imidazol-5-ylmethylene)-10b-(2-methyl-3-buten-2-yl)-6,10b,11,11a-tetrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [ACD/IUPAC Name]
(3E,5aS,10bR,11aR)-3-(1H-Imidazol-5-ylméthylène)-10b-(2-méthyl-3-butén-2-yl)-6,10b,11,11a-tétrahydro-2H-pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione [French] [ACD/IUPAC Name]
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-4-ylmethylene)-, (3E,5aS,10bR,11aR)- [ACD/Index Name]
2H-Pyrazino[1',2':1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione, 10b-(1,1-dimethyl-2-propen-1-yl)-6,10b,11,11a-tetrahydro-3-(1H-imidazol-5-ylmethylene)-, (3E,5aS,10bR,11aR)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 768.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 418.4±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 14.27
ACD/KOC (pH 5.5): 227.83
ACD/LogD (pH 7.4): 1.87
ACD/BCF (pH 7.4): 15.52
ACD/KOC (pH 7.4): 247.66
Polar Surface Area: 90 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 69.6±5.0 dyne/cm
Molar Volume: 283.8±5.0 cm3

Click to predict properties on the Chemicalize site


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