ChemSpider 2D Image | (2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-pentanone | C15H21NO

(2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-pentanone

  • Molecular FormulaC15H21NO
  • Average mass231.333 Da
  • Monoisotopic mass231.162308 Da
  • ChemSpider ID32798929
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-pentanon [German] [ACD/IUPAC Name]
(2S)-1-Phenyl-2-(1-pyrrolidinyl)-1-pentanone [ACD/IUPAC Name]
(2S)-1-Phényl-2-(1-pyrrolidinyl)-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-phenyl-2-(1-pyrrolidinyl)-, (2S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 340.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 58.4±3.0 kJ/mol
Flash Point: 119.0±12.5 °C
Index of Refraction: 1.538
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.06
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 17.20
ACD/KOC (pH 7.4): 128.54
Polar Surface Area: 20 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 40.0±3.0 dyne/cm
Molar Volume: 224.3±3.0 cm3

Click to predict properties on the Chemicalize site






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