ChemSpider 2D Image | 5-Bromo-3-{(1Z)-1-[(2R)-1-methyl-2-pyrrolidinyl]-1-propen-1-yl}-1H-indole | C16H19BrN2

5-Bromo-3-{(1Z)-1-[(2R)-1-methyl-2-pyrrolidinyl]-1-propen-1-yl}-1H-indole

  • Molecular FormulaC16H19BrN2
  • Average mass319.240 Da
  • Monoisotopic mass318.073151 Da
  • ChemSpider ID29212183

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1H-Indole, 5-bromo-3-[(1Z)-1-[(2R)-1-methyl-2-pyrrolidinyl]-1-propen-1-yl]- [ACD/Index Name]
5-Brom-3-{(1Z)-1-[(2R)-1-methyl-2-pyrrolidinyl]-1-propen-1-yl}-1H-indol [German] [ACD/IUPAC Name]
5-Bromo-3-{(1Z)-1-[(2R)-1-methyl-2-pyrrolidinyl]-1-propen-1-yl}-1H-indole [ACD/IUPAC Name]
5-Bromo-3-{(1Z)-1-[(2R)-1-méthyl-2-pyrrolidinyl]-1-propén-1-yl}-1H-indole [French] [ACD/IUPAC Name]
(R,Z)-5-bromo-3-(1-(1-methylpyrrolidin-2-yl)prop-1-enyl)-1H-indole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 439.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.6±28.7 °C
Index of Refraction: 1.649
Molar Refractivity: 85.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): 1.58
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 11.04
Polar Surface Area: 19 Å2
Polarizability: 33.9±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 234.7±3.0 cm3

Click to predict properties on the Chemicalize site


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