ChemSpider 2D Image | (5E)-1-Cyclopentyl-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione | C22H22IN3O3

(5E)-1-Cyclopentyl-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC22H22IN3O3
  • Average mass503.333 Da
  • Monoisotopic mass503.070587 Da
  • ChemSpider ID68273189

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-1-Cyclopentyl-5-{[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-1-Cyclopentyl-5-{[1-(3-iodophényl)-2,5-diméthyl-1H-pyrrol-3-yl]méthylène}-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
(5E)-1-Cyclopentyl-5-{[1-(3-iodphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylen}-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclopentyl-5-[[1-(3-iodophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-, (5E)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 119.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.21
ACD/LogD (pH 5.5): 4.51
ACD/BCF (pH 5.5): 1572.84
ACD/KOC (pH 5.5): 6743.25
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 998.26
ACD/KOC (pH 7.4): 4279.85
Polar Surface Area: 71 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 55.7±7.0 dyne/cm
Molar Volume: 306.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement