ChemSpider 2D Image | (5-Amino-4-cyano-2-hydroxy-2-methyl-1,2-dihydro-3H-pyrrol-3-ylidene)malononitrile | C9H7N5O

(5-Amino-4-cyano-2-hydroxy-2-methyl-1,2-dihydro-3H-pyrrol-3-ylidene)malononitrile

  • Molecular FormulaC9H7N5O
  • Average mass201.185 Da
  • Monoisotopic mass201.065063 Da
  • ChemSpider ID28636934

More details:

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

(5-Amino-4-cyan-2-hydroxy-2-methyl-1,2-dihydro-3H-pyrrol-3-yliden)malononitril [German] [ACD/IUPAC Name]
(5-Amino-4-cyano-2-hydroxy-2-methyl-1,2-dihydro-3H-pyrrol-3-ylidene)malononitrile [ACD/IUPAC Name]
(5-Amino-4-cyano-2-hydroxy-2-méthyl-1,2-dihydro-3H-pyrrol-3-ylidène)malononitrile [French] [ACD/IUPAC Name]
Propanedinitrile, 2-(5-amino-4-cyano-1,2-dihydro-2-hydroxy-2-methyl-3H-pyrrol-3-ylidene)- [ACD/Index Name]
(5-amino-4-cyano-2-hydroxy-2-methyl-1,2-dihydro-3H-pyrrol-3-ylidene)propanedinitrile
1283296-75-2 [RN]
2-(5-Amino-4-cyano-2-hydroxy-2-methyl-1,2-dihydro-pyrrol-3-ylidene)-malononitrile
2-(5-AMINO-4-CYANO-2-HYDROXY-2-METHYL-1H-PYRROL-3-YLIDENE)PROPANEDINITRILE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 366.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 175.7±27.9 °C
Index of Refraction: 1.644
Molar Refractivity: 49.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.95
ACD/LogD (pH 5.5): -0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.03
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.80
Polar Surface Area: 130 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 91.8±5.0 dyne/cm
Molar Volume: 135.9±5.0 cm3

Click to predict properties on the Chemicalize site


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