ChemSpider 2D Image | Ethyl 5-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-5-oxopentanoate | C18H23NO3

Ethyl 5-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-5-oxopentanoate

  • Molecular FormulaC18H23NO3
  • Average mass301.380 Da
  • Monoisotopic mass301.167786 Da
  • ChemSpider ID21399837

More details:

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

5-[3-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl]-5-oxopentanoate d'éthyle [French] [ACD/IUPAC Name]
898749-78-5 [RN]
Benzenepentanoic acid, 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-δ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 5-(3-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)-5-oxopentanoate
Ethyl 5-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-5-oxopentanoate [ACD/IUPAC Name]
Ethyl-5-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-5-oxopentanoat [German] [ACD/IUPAC Name]
ethyl 5-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-5-oxopentanoate
Ethyl 5-{3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}-5-oxopentanoate
Ethyl 5-oxo-5-[3-(3-pyrrolinomethyl)phenyl]valerate
MFCD03842398 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.3±28.7 °C
Index of Refraction: 1.551
Molar Refractivity: 85.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 3.72
ACD/KOC (pH 7.4): 39.97
Polar Surface Area: 47 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 268.9±3.0 cm3

Click to predict properties on the Chemicalize site


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