ChemSpider 2D Image | (5S)-1-(Hydroxymethyl)-5-(3-pyridinyl)-2-pyrrolidinone | C10H12N2O2

(5S)-1-(Hydroxymethyl)-5-(3-pyridinyl)-2-pyrrolidinone

  • Molecular FormulaC10H12N2O2
  • Average mass192.214 Da
  • Monoisotopic mass192.089874 Da
  • ChemSpider ID30776545

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(5S)-1-(Hydroxymethyl)-5-(3-pyridinyl)-2-pyrrolidinon [German] [ACD/IUPAC Name]
(5S)-1-(Hydroxymethyl)-5-(3-pyridinyl)-2-pyrrolidinone [ACD/IUPAC Name]
(5S)-1-(Hydroxyméthyl)-5-(3-pyridinyl)-2-pyrrolidinone [French] [ACD/IUPAC Name]
157129-55-0 [RN]
2-Pyrrolidinone, 1-(hydroxymethyl)-5-(3-pyridinyl)-, (5S)- [ACD/Index Name]
(5S)-1-(hydroxymethyl)-5-(pyridin-3-yl)pyrrolidin-2-one
(S)-1-(hydroxymethyl)-5-(3-pyridinyl)-2-Pyrrolidinone
N'-hydroxymethyl-norcotinine
N-(hydroxymethyl)-norcotinine
N'-hydroxymethyl-norcotinine
More...

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 422.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 209.2±28.7 °C
Index of Refraction: 1.583
Molar Refractivity: 50.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.01
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 16.31
Polar Surface Area: 53 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 56.0±3.0 dyne/cm
Molar Volume: 152.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement