ChemSpider 2D Image | (3aR,3bS,11bS)-3a,4,5,11b-Tetrahydro-1H-dipyrrolo[1,2-a:3',2'-c]quinoline-2,6(3H,3bH)-dione | C14H14N2O2

(3aR,3bS,11bS)-3a,4,5,11b-Tetrahydro-1H-dipyrrolo[1,2-a:3',2'-c]quinoline-2,6(3H,3bH)-dione

  • Molecular FormulaC14H14N2O2
  • Average mass242.273 Da
  • Monoisotopic mass242.105530 Da
  • ChemSpider ID30658685

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,3bS,11bS)-3a,4,5,11b-Tetrahydro-1H-dipyrrolo[1,2-a:3',2'-c]chinolin-2,6(3H,3bH)-dion [German] [ACD/IUPAC Name]
(3aR,3bS,11bS)-3a,4,5,11b-Tétrahydro-1H-dipyrrolo[1,2-a:3',2'-c]quinoléine-2,6(3H,3bH)-dione [French] [ACD/IUPAC Name]
(3aR,3bS,11bS)-3a,4,5,11b-Tetrahydro-1H-dipyrrolo[1,2-a:3',2'-c]quinoline-2,6(3H,3bH)-dione [ACD/IUPAC Name]
1H-Dipyrrolo[1,2-a:3',2'-c]quinoline-2,6(3H,3bH)-dione, 3a,4,5,11b-tetrahydro-, (3aR,3bS,11bS)- [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: 524.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.9±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 65.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.41
ACD/LogD (pH 5.5): 0.37
ACD/BCF (pH 5.5): 1.13
ACD/KOC (pH 5.5): 38.06
ACD/LogD (pH 7.4): 0.37
ACD/BCF (pH 7.4): 1.13
ACD/KOC (pH 7.4): 38.06
Polar Surface Area: 49 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 63.2±5.0 dyne/cm
Molar Volume: 174.8±5.0 cm3

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