ChemSpider 2D Image | 2-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl (3E)-3-(4-methoxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate | C34H30N2O5

2-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl (3E)-3-(4-methoxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate

  • Molecular FormulaC34H30N2O5
  • Average mass546.612 Da
  • Monoisotopic mass546.215454 Da
  • ChemSpider ID4813719

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(4-Méthoxybenzylidène)-2,3-dihydro-1H-cyclopenta[b]quinoléine-9-carboxylate de 2-[1-(2-furylméthyl)-2,5-diméthyl-1H-pyrrol-3-yl]-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Cyclopenta[b]quinoline-9-carboxylic acid, 2,3-dihydro-3-[(4-methoxyphenyl)methylene]-, 2-[1-(2-furanylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl ester, (3E)- [ACD/Index Name]
2-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl (3E)-3-(4-methoxybenzylidene)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate [ACD/IUPAC Name]
2-[1-(2-Furylmethyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoethyl-(3E)-3-(4-methoxybenzyliden)-2,3-dihydro-1H-cyclopenta[b]chinolin-9-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 771.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 420.2±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 156.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 238776.81
ACD/KOC (pH 5.5): 246064.73
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 238953.06
ACD/KOC (pH 7.4): 246246.36
Polar Surface Area: 84 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 47.0±7.0 dyne/cm
Molar Volume: 434.8±7.0 cm3

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