ChemSpider 2D Image | (3Z,5S)-3-(1-Anilinoethylidene)-5-benzyl-2,4-pyrrolidinedione | C19H18N2O2

(3Z,5S)-3-(1-Anilinoethylidene)-5-benzyl-2,4-pyrrolidinedione

  • Molecular FormulaC19H18N2O2
  • Average mass306.358 Da
  • Monoisotopic mass306.136841 Da
  • ChemSpider ID25059222
  • 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

(3Z,5S)-3-(1-Anilinoethyliden)-5-benzyl-2,4-pyrrolidindion [German] [ACD/IUPAC Name]
(3Z,5S)-3-(1-Anilinoethylidene)-5-benzyl-2,4-pyrrolidinedione [ACD/IUPAC Name]
(3Z,5S)-3-(1-Anilinoéthylidène)-5-benzyl-2,4-pyrrolidinedione [French] [ACD/IUPAC Name]
(3Z,5S)-5-benzyl-3-[1-(phenylamino)ethylidene]pyrrolidine-2,4-dione
2,4-Pyrrolidinedione, 3-[1-(phenylamino)ethylidene]-5-(phenylmethyl)-, (3Z,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 532.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.8±3.0 kJ/mol
Flash Point: 195.5±30.3 °C
Index of Refraction: 1.648
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 18.15
ACD/KOC (pH 5.5): 277.17
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 18.04
ACD/KOC (pH 7.4): 275.40
Polar Surface Area: 58 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 245.3±3.0 cm3

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