ChemSpider 2D Image | (+)‐neoechinulin A | C19H21N3O2

(+)‐neoechinulin A

  • Molecular FormulaC19H21N3O2
  • Average mass323.389 Da
  • Monoisotopic mass323.163391 Da
  • ChemSpider ID26485365

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(+)‐neoechinulin A
(3R,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylen}-2,5-piperazindion [German] [ACD/IUPAC Name]
(3R,6Z)-3-Methyl-6-{[2-(2-methyl-3-buten-2-yl)-1H-indol-3-yl]methylene}-2,5-piperazinedione [ACD/IUPAC Name]
(3R,6Z)-3-Méthyl-6-{[2-(2-méthyl-3-butén-2-yl)-1H-indol-3-yl]méthylène}-2,5-pipérazinedione [French] [ACD/IUPAC Name]
2,5-Piperazinedione, 3-[[2-(1,1-dimethyl-2-propen-1-yl)-1H-indol-3-yl]methylene]-6-methyl-, (3Z,6R)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 655.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.6±3.0 kJ/mol
Flash Point: 350.4±31.5 °C
Index of Refraction: 1.628
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.10
ACD/KOC (pH 5.5): 453.35
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.09
ACD/KOC (pH 7.4): 453.33
Polar Surface Area: 74 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 270.0±3.0 cm3

Click to predict properties on the Chemicalize site


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