98Z

1~{H}-indole-3-carbonitrile

Created:2017-04-28
Last modified:  2021-06-30

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Chemical Details

Formal Charge0
Atom Count17
Chiral Atom Count0
Bond Count18
Aromatic Bond Count10
2D diagram of 98Z

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Chemical Component Summary

Name1~{H}-indole-3-carbonitrile
Systematic Name (OpenEye OEToolkits)1~{H}-indole-3-carbonitrile
FormulaC9 H6 N2
Molecular Weight142.157
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N#Cc1c[nH]c2ccccc12
SMILESOpenEye OEToolkits2.0.6c1ccc2c(c1)c(c[nH]2)C#N
Canonical SMILESCACTVS3.385 N#Cc1c[nH]c2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.6 c1ccc2c(c1)c(c[nH]2)C#N
InChIInChI1.03 InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKeyInChI1.03 CHIFTAQVXHNVRW-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 230282
ChEMBL CHEMBL46724