ChemSpider 2D Image | 2-[4-(3-Phenyl-1-pyrrolidinyl)butyl]-1-isoindolinone | C22H26N2O

2-[4-(3-Phenyl-1-pyrrolidinyl)butyl]-1-isoindolinone

  • Molecular FormulaC22H26N2O
  • Average mass334.455 Da
  • Monoisotopic mass334.204498 Da
  • ChemSpider ID23126297

More details:

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

1H-Isoindol-1-one, 2,3-dihydro-2-[4-(3-phenyl-1-pyrrolidinyl)butyl]- [ACD/Index Name]
2-[4-(3-Phenyl-1-pyrrolidinyl)butyl]-1-isoindolinon [German] [ACD/IUPAC Name]
2-[4-(3-Phenyl-1-pyrrolidinyl)butyl]-1-isoindolinone [ACD/IUPAC Name]
2-[4-(3-Phényl-1-pyrrolidinyl)butyl]-1-isoindolinone [French] [ACD/IUPAC Name]
2-[4-(3-phenylpyrrolidin-1-yl)butyl]-2,3-dihydro-1H-isoindol-1-one
2-[4-(3-Phenyl-pyrrolidin-1-yl)-butyl]-2,3-dihydro-isoindol-1-one
CHEMBL282822
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL282822/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 517.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.0±3.0 kJ/mol
Flash Point: 225.1±22.5 °C
Index of Refraction: 1.593
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 0.53
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.83
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.30
ACD/KOC (pH 7.4): 8.73
Polar Surface Area: 24 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 296.7±3.0 cm3

Click to predict properties on the Chemicalize site


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