ChemSpider 2D Image | 1'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(4-propylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one | C35H36N2O3

1'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(4-propylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

  • Molecular FormulaC35H36N2O3
  • Average mass532.672 Da
  • Monoisotopic mass532.272583 Da
  • ChemSpider ID4386966

More details:

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

1'-(2,2-Dimethylpropanoyl)-5'-methyl-2'-(4-propylbenzoyl)-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one [ACD/IUPAC Name]
Spiro[3H-indole-3,3'(3'aH)-pyrrolo[1,2-a]quinolin]-2(1H)-one, 1'-(2,2-dimethyl-1-oxopropyl)-1',2'-dihydro-5'-methyl-2'-(4-propylbenzoyl)- [ACD/Index Name]
1'-(2,2-dimethylpropanoyl)-5'-methyl-2'-[(4-propylphenyl)carbonyl]-1',2'-dihydro-3a'H-spiro[indole-3,3'-pyrrolo[1,2-a]quinolin]-2(1H)-one

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

Density: 1.2±0.1 g/cm3
Boiling Point: 722.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 390.7±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 156.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 8.04
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 76083.99
ACD/KOC (pH 5.5): 108535.20
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76107.22
ACD/KOC (pH 7.4): 108568.34
Polar Surface Area: 66 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 427.5±5.0 cm3

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