ChemSpider 2D Image | (2E)-2-Pyrrolidinylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile | C13H17N5

(2E)-2-Pyrrolidinylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile

  • Molecular FormulaC13H17N5
  • Average mass243.308 Da
  • Monoisotopic mass243.148392 Da
  • ChemSpider ID23044135

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-Pyrrolidinyliden(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitril [German] [ACD/IUPAC Name]
(2E)-2-Pyrrolidinylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile [ACD/IUPAC Name]
(2E)-2-Pyrrolidinylidène(6,7,8,9-tétrahydro-5H-[1,2,4]triazolo[4,3-a]azépin-3-yl)acétonitrile [French] [ACD/IUPAC Name]
(2E)-Pyrrolidin-2-ylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
5H-1,2,4-Triazolo[4,3-a]azepine-3-acetonitrile, 6,7,8,9-tetrahydro-α-2-pyrrolidinylidene-, (αE)- [ACD/Index Name]
(2E)-pyrrolidin-2-ylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanenitrile
2-(5H,6H,7H,8H,9H-1,2,4-triazolo[4,5-a]azaperhydroepin-3-yl)-2-pyrrolidin-2-ylideneethanenitrile
pyrrolidin-2-ylidene(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)acetonitrile
Pyrrolidin-2-ylidene-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-acetonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 466.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 236.0±31.5 °C
Index of Refraction: 1.713
Molar Refractivity: 69.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.58
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 4.04
ACD/KOC (pH 5.5): 94.44
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 4.04
ACD/KOC (pH 7.4): 94.61
Polar Surface Area: 67 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 178.1±7.0 cm3

Click to predict properties on the Chemicalize site


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