ChemSpider 2D Image | Ethyl (2E,4S)-4-[(2R)-1-(4-methoxyphenyl)-5-oxo-2-pyrrolidinyl]-2-pentenoate | C18H23NO4

Ethyl (2E,4S)-4-[(2R)-1-(4-methoxyphenyl)-5-oxo-2-pyrrolidinyl]-2-pentenoate

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID30652069

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2E,4S)-4-[(2R)-1-(4-Méthoxyphényl)-5-oxo-2-pyrrolidinyl]-2-penténoate d'éthyle [French] [ACD/IUPAC Name]
2-Pentenoic acid, 4-[(2R)-1-(4-methoxyphenyl)-5-oxo-2-pyrrolidinyl]-, ethyl ester, (2E,4S)- [ACD/Index Name]
Ethyl (2E,4S)-4-[(2R)-1-(4-methoxyphenyl)-5-oxo-2-pyrrolidinyl]-2-pentenoate [ACD/IUPAC Name]
Ethyl-(2E,4S)-4-[(2R)-1-(4-methoxyphenyl)-5-oxo-2-pyrrolidinyl]-2-pentenoat [German] [ACD/IUPAC 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: 509.8±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 262.1±23.2 °C
Index of Refraction: 1.538
Molar Refractivity: 87.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.92
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.34
ACD/KOC (pH 5.5): 832.29
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 84.34
ACD/KOC (pH 7.4): 832.30
Polar Surface Area: 56 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 279.7±3.0 cm3

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