RCSB PDB - 73D Ligand Summary Page

73D

1-ethylindole-2,3-dione

Created: 2016-08-19
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count22
Chiral Atom Count0
Bond Count23
Aromatic Bond Count6
2D diagram of 73D

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Chemical Component Summary

Name1-ethylindole-2,3-dione
Systematic Name (OpenEye OEToolkits)1-ethylindole-2,3-dione
FormulaC10 H9 N O2
Molecular Weight175.184
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCN1C(=O)C(=O)c2ccccc12
SMILESOpenEye OEToolkits2.0.5CCN1c2ccccc2C(=O)C1=O
Canonical SMILESCACTVS3.385 CCN1C(=O)C(=O)c2ccccc12
Canonical SMILESOpenEye OEToolkits2.0.5 CCN1c2ccccc2C(=O)C1=O
InChIInChI1.03 InChI=1S/C10H9NO2/c1-2-11-8-6-4-3-5-7(8)9(12)10(11)13/h3-6H,2H2,1H3
InChIKeyInChI1.03 ORYSFKVWQQMDAX-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 316076
CCDC/CSD PAZBIC