5RN

1-(1~{H}-indol-3-yl)ethanone

Created:2015-11-18
Last modified:  2016-05-25

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count10
2D diagram of 5RN

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Chemical Component Summary

Name1-(1~{H}-indol-3-yl)ethanone
Systematic Name (OpenEye OEToolkits)1-(1~{H}-indol-3-yl)ethanone
FormulaC10 H9 N O
Molecular Weight159.185
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(=O)c1c[nH]c2ccccc12
SMILESOpenEye OEToolkits2.0.4CC(=O)c1c[nH]c2c1cccc2
Canonical SMILESCACTVS3.385 CC(=O)c1c[nH]c2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.4 CC(=O)c1c[nH]c2c1cccc2
InChIInChI1.03 InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
InChIKeyInChI1.03 VUIMBZIZZFSQEE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 12802
ChEMBL CHEMBL553944
CCDC/CSD PODSEH01, PODSEH
COD 2016691