RRI

1-indol-1-ylethanone

Created: 2022-12-06
Last modified:  2022-12-28

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count24
Aromatic Bond Count6
2D diagram of RRI

Chemical Component Summary

Name1-indol-1-ylethanone
Systematic Name (OpenEye OEToolkits)1-(2,3-dihydroindol-1-yl)ethanone
FormulaC10 H11 N O
Molecular Weight161.2
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(=O)N1CCc2ccccc12
SMILESOpenEye OEToolkits3.1.0.0CC(=O)N1CCc2c1cccc2
Canonical SMILESCACTVS3.385 CC(=O)N1CCc2ccccc12
Canonical SMILESOpenEye OEToolkits3.1.0.0 CC(=O)N1CCc2c1cccc2
InChIInChI1.06 InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
InChIKeyInChI1.06 RNTCWULFNYNFGI-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 27673
ChEMBL CHEMBL3274978
CCDC/CSD XIDPAB