ChemSpider 2D Image | 8-Cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydro-1(2H)-isoquinolinone | C25H30N2O2

8-Cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydro-1(2H)-isoquinolinone

  • Molecular FormulaC25H30N2O2
  • Average mass390.518 Da
  • Monoisotopic mass390.230713 Da
  • ChemSpider ID34236317

More details:

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

1(2H)-Isoquinolinone, 8-cyclopentyl-3,4-dihydro-6-(4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-1H-indol-1-yl)- [ACD/Index Name]
8-Cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydro-1(2H)-isochinolinon [German] [ACD/IUPAC Name]
8-Cyclopentyl-6-(3,6,6-triméthyl-4-oxo-4,5,6,7-tétrahydro-1H-indol-1-yl)-3,4-dihydro-1(2H)-isoquinoléinone [French] [ACD/IUPAC Name]
8-Cyclopentyl-6-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indol-1-yl)-3,4-dihydro-1(2H)-isoquinolinone [ACD/IUPAC Name]
8-Cyclopentyl-6-(3,6,6-Trimethyl-4-Oxo-4,5,6,7-Tetrahydro-1h-Indol-1-Yl)-3,4-Dihydroisoquinolin-1(2h)-One
2QA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 643.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.0±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 113.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3413.86
ACD/KOC (pH 5.5): 11767.71
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3413.86
ACD/KOC (pH 7.4): 11767.71
Polar Surface Area: 51 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 48.1±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

Click to predict properties on the Chemicalize site


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