GT7

2-cyano-~{N}-cyclohexyl-ethanamide

Created:2018-06-01
Last modified:  2019-04-10

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count0
Bond Count26
Aromatic Bond Count0
2D diagram of GT7

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Chemical Component Summary

Name2-cyano-~{N}-cyclohexyl-ethanamide
Systematic Name (OpenEye OEToolkits)2-cyano-~{N}-cyclohexyl-ethanamide
FormulaC9 H14 N2 O
Molecular Weight166.22
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O=C(CC#N)NC1CCCCC1
SMILESOpenEye OEToolkits2.0.6C1CCC(CC1)NC(=O)CC#N
Canonical SMILESCACTVS3.385 O=C(CC#N)NC1CCCCC1
Canonical SMILESOpenEye OEToolkits2.0.6 C1CCC(CC1)NC(=O)CC#N
InChIInChI1.03 InChI=1S/C9H14N2O/c10-7-6-9(12)11-8-4-2-1-3-5-8/h8H,1-6H2,(H,11,12)
InChIKeyInChI1.03 RURWLUVLDBYUEN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 706143
CCDC/CSD ROHXET