ChemSpider 2D Image | (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3H-indole-3-carboxylate | C17H20N2O2

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3H-indole-3-carboxylate

  • Molecular FormulaC17H20N2O2
  • Average mass284.353 Da
  • Monoisotopic mass284.152466 Da
  • ChemSpider ID25026812

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3H-indole-3-carboxylate [ACD/IUPAC Name]
(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-3H-indol-3-carboxylat [German] [ACD/IUPAC Name]
3H-Indole-3-carboxylate de (1R,5S)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
3H-Indole-3-carboxylic acid, (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 405.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.7±3.0 kJ/mol
Flash Point: 199.1±28.7 °C
Index of Refraction: 1.682
Molar Refractivity: 79.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.13
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.10
Polar Surface Area: 42 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 210.6±7.0 cm3

Click to predict properties on the Chemicalize site


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