ChemSpider 2D Image | S-3a-Hydroxy-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one | C17H14N2O2

S-3a-Hydroxy-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one

  • Molecular FormulaC17H14N2O2
  • Average mass278.305 Da
  • Monoisotopic mass278.105530 Da
  • ChemSpider ID25056781

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3aS)-3a-Hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]chinolin-4-on [German] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-1-phényl-1,2,3,3a-tétrahydro-4H-pyrrolo[2,3-b]quinoléin-4-one [French] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one [ACD/IUPAC Name]
4H-Pyrrolo[2,3-b]quinolin-4-one, 1,2,3,3a-tetrahydro-3a-hydroxy-1-phenyl-, (3aS)- [ACD/Index Name]
S-3a-Hydroxy-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-1-phenyl-2H,3H-pyrrolo[2,3-b]quinolin-4-one
BL7

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

Density: 1.3±0.1 g/cm3
Boiling Point: 490.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 250.5±31.5 °C
Index of Refraction: 1.696
Molar Refractivity: 79.9±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 11.84
ACD/KOC (pH 5.5): 198.03
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 13.17
ACD/KOC (pH 7.4): 220.17
Polar Surface Area: 53 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 57.4±7.0 dyne/cm
Molar Volume: 207.7±7.0 cm3

Click to predict properties on the Chemicalize site


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