ChemSpider 2D Image | Methyl 3-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-pyrrolidinecarboxylate | C12H16BrN3O3

Methyl 3-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-pyrrolidinecarboxylate

  • Molecular FormulaC12H16BrN3O3
  • Average mass330.178 Da
  • Monoisotopic mass329.037506 Da
  • ChemSpider ID30462488

More details:

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

1-Pyrrolidinecarboxylic acid, 3-[[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino]-, methyl ester [ACD/Index Name]
3-{[(4-Bromo-1-méthyl-1H-pyrrol-2-yl)carbonyl]amino}-1-pyrrolidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-{[(4-bromo-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
Methyl-3-{[(4-brom-1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
METHYL 3-(4-BROMO-1-METHYL-1H-PYRROLE-2-AMIDO)PYRROLIDINE-1-CARBOXYLATE
METHYL 3-(4-BROMO-1-METHYLPYRROLE-2-AMIDO)PYRROLIDINE-1-CARBOXYLATE

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

Density: 1.6±0.1 g/cm3
Boiling Point: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.634
Molar Refractivity: 74.0±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.31
ACD/KOC (pH 5.5): 158.40
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 8.31
ACD/KOC (pH 7.4): 158.40
Polar Surface Area: 64 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 207.0±7.0 cm3

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