F05

1H-isoindol-3-amine

Created:2010-11-15
Last modified:  2021-02-16

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count0
Bond Count19
Aromatic Bond Count6
2D diagram of F05

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Chemical Component Summary

Name1H-isoindol-3-amine
Systematic Name (OpenEye OEToolkits)3~{H}-isoindol-1-amine
FormulaC8 H8 N2
Molecular Weight132.163
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cccc2c1cnc2N
SMILESCACTVS3.385NC1=NCc2ccccc12
SMILESOpenEye OEToolkits2.0.7c1ccc2c(c1)CN=C2N
Canonical SMILESCACTVS3.385 NC1=NCc2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.7 c1ccc2c(c1)CN=C2N
InChIInChI1.03 InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2,(H2,9,10)
InChIKeyInChI1.03 MTKKGHVQPVOXIL-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 427859
ChEMBL CHEMBL1617729