ChemSpider 2D Image | Methyl 2-{3-[2-(5-ethyl-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}acrylate | C21H24N2O2

Methyl 2-{3-[2-(5-ethyl-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}acrylate

  • Molecular FormulaC21H24N2O2
  • Average mass336.427 Da
  • Monoisotopic mass336.183777 Da
  • ChemSpider ID29763446

More details:

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

1H-Indole-2-acetic acid, 3-[2-(5-ethyl-1(2H)-pyridinyl)ethyl]-α-methylene-, methyl ester [ACD/Index Name]
2-{3-[2-(5-Éthyl-1(2H)-pyridinyl)éthyl]-1H-indol-2-yl}acrylate de méthyle [French] [ACD/IUPAC Name]
Methyl 2-{3-[2-(5-ethyl-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}acrylate [ACD/IUPAC Name]
Methyl-2-{3-[2-(5-ethyl-1(2H)-pyridinyl)ethyl]-1H-indol-2-yl}acrylat [German] [ACD/IUPAC Name]
Dehydrosecodine
methyl 2-{3-[2-(5-ethylpyridin-1(2H)-yl)ethyl]-1H-indol-2-yl}prop-2-enoate
  • Miscellaneous

    • Chemical Class:

      A member of the class of indoles that is methyl 2-(1H-indol-2-yl)prop-2-enoate in which the indole moiety has been substituted at position 3 by a 2-(5-ethylpyridin-1(2H)-yl)ethyl group. An intermediat e in the biosynthesis of aspidosperma and iboga alkaloids. ChEBI CHEBI:146301

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

Density: 1.1±0.1 g/cm3
Boiling Point: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 288.4±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 101.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 202.54
ACD/KOC (pH 5.5): 1022.91
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 852.70
ACD/KOC (pH 7.4): 4306.45
Polar Surface Area: 45 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 296.2±3.0 cm3

Click to predict properties on the Chemicalize site


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