ChemSpider 2D Image | (2S,3aR,4aR,9bS)-2-(1H-Indol-3-yl)-2,3a-dimethyl-3,3a,5,9b-tetrahydro-4aH-indeno[1,2-d]pyrrolo[2,1-b][1,3]oxazol-1(2H)-one | C23H22N2O2

(2S,3aR,4aR,9bS)-2-(1H-Indol-3-yl)-2,3a-dimethyl-3,3a,5,9b-tetrahydro-4aH-indeno[1,2-d]pyrrolo[2,1-b][1,3]oxazol-1(2H)-one

  • Molecular FormulaC23H22N2O2
  • Average mass358.433 Da
  • Monoisotopic mass358.168121 Da
  • ChemSpider ID30651800

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aR,4aR,9bS)-2-(1H-Indol-3-yl)-2,3a-dimethyl-3,3a,5,9b-tetrahydro-4aH-indeno[1,2-d]pyrrolo[2,1-b][1,3]oxazol-1(2H)-on [German] [ACD/IUPAC Name]
(2S,3aR,4aR,9bS)-2-(1H-Indol-3-yl)-2,3a-dimethyl-3,3a,5,9b-tetrahydro-4aH-indeno[1,2-d]pyrrolo[2,1-b][1,3]oxazol-1(2H)-one [ACD/IUPAC Name]
(2S,3aR,4aR,9bS)-2-(1H-Indol-3-yl)-2,3a-diméthyl-3,3a,5,9b-tétrahydro-4aH-indéno[1,2-d]pyrrolo[2,1-b][1,3]oxazol-1(2H)-one [French] [ACD/IUPAC Name]
5H-Indeno[1,2-d]pyrrolo[2,1-b]oxazol-1(2H)-one, 3,3a,4a,9b-tetrahydro-2-(1H-indol-3-yl)-2,3a-dimethyl-, (2S,3aR,4aR,9bS)- [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: 580.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.9±30.1 °C
Index of Refraction: 1.716
Molar Refractivity: 104.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 301.58
ACD/KOC (pH 5.5): 2071.87
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 301.58
ACD/KOC (pH 7.4): 2071.87
Polar Surface Area: 45 Å2
Polarizability: 41.3±0.5 10-24cm3
Surface Tension: 65.7±5.0 dyne/cm
Molar Volume: 264.9±5.0 cm3

Click to predict properties on the Chemicalize site


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