ChemSpider 2D Image | Ethyl (4E)-2-methyl-5-oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate | C19H17NO3S

Ethyl (4E)-2-methyl-5-oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate

  • Molecular FormulaC19H17NO3S
  • Average mass339.408 Da
  • Monoisotopic mass339.092926 Da
  • ChemSpider ID57319965

  • Double-bond stereo - Double-bond stereo

More details:

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

(4E)-2-Méthyl-5-oxo-1-phényl-4-(2-thiénylméthylène)-4,5-dihydro-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrole-3-carboxylic acid, 4,5-dihydro-2-methyl-5-oxo-1-phenyl-4-(2-thienylmethylene)-, ethyl ester, (4E)- [ACD/Index Name]
Ethyl (4E)-2-methyl-5-oxo-1-phenyl-4-(2-thienylmethylene)-4,5-dihydro-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-(4E)-2-methyl-5-oxo-1-phenyl-4-(2-thienylmethylen)-4,5-dihydro-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
ETHYL (4E)-2-METHYL-5-OXO-1-PHENYL-4-(THIOPHEN-2-YLMETHYLIDENE)PYRROLE-3-CARBOXYLATE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 503.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.3±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 95.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 202.91
ACD/KOC (pH 5.5): 1560.16
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.91
ACD/KOC (pH 7.4): 1560.16
Polar Surface Area: 75 Å2
Polarizability: 37.9±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 261.1±3.0 cm3

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