ChemSpider 2D Image | (1R,2R,4S,5S,7r)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl 1H-indole-3-carboxylate | C17H18N2O3

(1R,2R,4S,5S,7r)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 1H-indole-3-carboxylate

  • Molecular FormulaC17H18N2O3
  • Average mass298.336 Da
  • Monoisotopic mass298.131744 Da
  • ChemSpider ID109121356

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2R,4S,5S,7r)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 1H-indole-3-carboxylate [ACD/IUPAC Name]
(1R,2R,4S,5S,7r)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl-1H-indol-3-carboxylat [German] [ACD/IUPAC Name]
1H-Indole-3-carboxylate de (1R,2R,4S,5S,7r)-9-méthyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yle [French] [ACD/IUPAC Name]
1H-Indole-3-carboxylic acid, (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-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: 479.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 244.0±28.7 °C
Index of Refraction: 1.685
Molar Refractivity: 81.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.04
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 9.09
ACD/KOC (pH 7.4): 103.66
Polar Surface Area: 58 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 64.0±5.0 dyne/cm
Molar Volume: 213.5±5.0 cm3

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