ChemSpider 2D Image | S-3a-Hydroxy-7-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one | C18H16N2O2

S-3a-Hydroxy-7-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one

  • Molecular FormulaC18H16N2O2
  • Average mass292.332 Da
  • Monoisotopic mass292.121185 Da
  • ChemSpider ID25056800
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(3aS)-3a-Hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]chinolin-4-on [German] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-7-méthyl-1-phényl-1,2,3,3a-tétrahydro-4H-pyrrolo[2,3-b]quinoléin-4-one [French] [ACD/IUPAC Name]
(3aS)-3a-Hydroxy-7-methyl-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-7-methyl-1-phenyl-, (3aS)- [ACD/Index Name]
S-3a-Hydroxy-7-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-7-methyl-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one
(3aS)-3a-hydroxy-7-methyl-1-phenyl-2H,3H-pyrrolo[2,3-b]quinolin-4-one
BL6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 507.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 260.6±32.9 °C
Index of Refraction: 1.681
Molar Refractivity: 84.4±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.46
ACD/KOC (pH 5.5): 297.96
ACD/LogD (pH 7.4): 2.05
ACD/BCF (pH 7.4): 21.44
ACD/KOC (pH 7.4): 312.22
Polar Surface Area: 53 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 222.9±7.0 cm3

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