ChemSpider 2D Image | (2R,5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinecarbonitrile | C11H13N3

(2R,5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinecarbonitrile

  • Molecular FormulaC11H13N3
  • Average mass187.241 Da
  • Monoisotopic mass187.110947 Da
  • ChemSpider ID23173988

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R,5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidincarbonitril [German] [ACD/IUPAC Name]
(2R,5S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinecarbonitrile [ACD/IUPAC Name]
(2R,5S)-1-Méthyl-5-(3-pyridinyl)-2-pyrrolidinecarbonitrile [French] [ACD/IUPAC Name]
(2R,5S)-1-methyl-5-(pyridin-3-yl)pyrrolidine-2-carbonitrile
2-Pyrrolidinecarbonitrile, 1-methyl-5-(3-pyridinyl)-, (2R,5S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 336.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.9±3.0 kJ/mol
Flash Point: 157.2±27.9 °C
Index of Refraction: 1.572
Molar Refractivity: 54.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.28
ACD/LogD (pH 5.5): 0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.08
ACD/LogD (pH 7.4): 0.32
ACD/BCF (pH 7.4): 1.02
ACD/KOC (pH 7.4): 35.38
Polar Surface Area: 40 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 164.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement