ChemSpider 2D Image | 4,5-Dihydropiperlonguminine | C16H21NO3

4,5-Dihydropiperlonguminine

  • Molecular FormulaC16H21NO3
  • Average mass275.343 Da
  • Monoisotopic mass275.152130 Da
  • ChemSpider ID22914129

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
(2E)-5-(1,3-Benzodioxol-5-yl)-N-isobutyl-2-pentenamid [German] [ACD/IUPAC Name]
(2E)-5-(1,3-Benzodioxol-5-yl)-N-isobutyl-2-pentenamide [ACD/IUPAC Name]
(2E)-5-(1,3-Benzodioxol-5-yl)-N-isobutyl-2-penténamide [French] [ACD/IUPAC Name]
23512-53-0 [RN]
2-Pentenamide, 5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)-, (2E)- [ACD/Index Name]
4,5-Dihydropiperlonguminine
5,6-Dihydropiperlonguminine
(2E)-5-(2H-1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
(E)-5-(1,3-benzodioxol-5-yl)-N-(2-methylpropyl)pent-2-enamide
More...

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

  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Compound Source:

      Isolated from a plant Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL.]
      Piper tuberculatum (Piperaceae) Susan Richardson [Structure found in ChemSpider, confirmed from ChEMBL.]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 468.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.1±3.0 kJ/mol
Flash Point: 237.3±28.7 °C
Index of Refraction: 1.540
Molar Refractivity: 78.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.46
ACD/KOC (pH 5.5): 895.74
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.46
ACD/KOC (pH 7.4): 895.74
Polar Surface Area: 48 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 248.9±3.0 cm3

Click to predict properties on the Chemicalize site


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