ChemSpider 2D Image | 3-{(E)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole | C20H23N3O

3-{(E)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole

  • Molecular FormulaC20H23N3O
  • Average mass321.416 Da
  • Monoisotopic mass321.184113 Da
  • ChemSpider ID57462165

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Isoindole, 3-[(E)-[(5E)-1,5-dihydro-3-methoxy-5-(2H-pyrrol-2-ylidene)-2H-pyrrol-2-ylidene]methyl]-4,5,6,7-tetrahydro-1,4-dimethyl- [ACD/Index Name]
3-{(E)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-yliden)-1,5-dihydro-2H-pyrrol-2-yliden]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindol [German] [ACD/IUPAC Name]
3-{(E)-[(5E)-3-Methoxy-5-(2H-pyrrol-2-ylidene)-1,5-dihydro-2H-pyrrol-2-ylidene]methyl}-1,4-dimethyl-4,5,6,7-tetrahydro-2H-isoindole [ACD/IUPAC Name]
3-{(E)-[(5E)-3-Méthoxy-5-(2H-pyrrol-2-ylidène)-1,5-dihydro-2H-pyrrol-2-ylidène]méthyl}-1,4-diméthyl-4,5,6,7-tétrahydro-2H-isoindole [French] [ACD/IUPAC Name]
3-{[(2E)-3-METHOXY-5-[(2Z)-PYRROL-2-YLIDENE]-1H-PYRROL-2-YLIDENE]METHYL}-1,4-DIMETHYL-4,5,6,7-TETRAHYDRO-2H-ISOINDOLE

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

Density: 1.2±0.1 g/cm3
Boiling Point: 566.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 94.5±0.5 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.17
ACD/LogD (pH 5.5): 0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.01
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.07
ACD/KOC (pH 7.4): 10.46
Polar Surface Area: 49 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 258.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement