ChemSpider 2D Image | 5-Hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one | C14H12N2O2

5-Hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one

  • Molecular FormulaC14H12N2O2
  • Average mass240.257 Da
  • Monoisotopic mass240.089874 Da
  • ChemSpider ID26330347
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

2H-Indol-2-one, 5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]- [ACD/Index Name]
5-Hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-on [German] [ACD/IUPAC Name]
5-Hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]-2H-indol-2-one [ACD/IUPAC Name]
5-Hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)éthyl]-2H-indol-2-one [French] [ACD/IUPAC Name]
5-hydroxy-3-[(1R)-1-(1H-pyrrol-2-yl)ethyl]indol-2-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 440.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 220.1±31.5 °C
Index of Refraction: 1.689
Molar Refractivity: 67.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.28
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.57
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 65 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 53.0±7.0 dyne/cm
Molar Volume: 175.6±7.0 cm3

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