ChemSpider 2D Image | Methyl {(2S)-1-[(4E)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-2-pyrrolidinyl}acetate | C16H23NO4

Methyl {(2S)-1-[(4E)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-2-pyrrolidinyl}acetate

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID25048595

  • 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

{(2S)-1-[(4E)-4-(4-Méthyl-5-oxo-2(5H)-furanylidène)butyl]-2-pyrrolidinyl}acétate de méthyle [French] [ACD/IUPAC Name]
2-Pyrrolidineacetic acid, 1-[(4E)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-, methyl ester, (2S)- [ACD/Index Name]
Methyl {(2S)-1-[(4E)-4-(4-methyl-5-oxo-2(5H)-furanylidene)butyl]-2-pyrrolidinyl}acetate [ACD/IUPAC Name]
Methyl-{(2S)-1-[(4E)-4-(4-methyl-5-oxo-2(5H)-furanyliden)butyl]-2-pyrrolidinyl}acetat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 436.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 218.0±21.8 °C
Index of Refraction: 1.553
Molar Refractivity: 80.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.42
Polar Surface Area: 56 Å2
Polarizability: 31.9±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 251.1±3.0 cm3

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