RRI
1-indol-1-ylethanone
Created: | 2022-12-06 |
Last modified: | 2022-12-28 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 23 |
Chiral Atom Count | 0 |
Bond Count | 24 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 1-indol-1-ylethanone |
Systematic Name (OpenEye OEToolkits) | 1-(2,3-dihydroindol-1-yl)ethanone |
Formula | C10 H11 N O |
Molecular Weight | 161.2 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CC(=O)N1CCc2ccccc12 |
SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1cccc2 |
Canonical SMILES | CACTVS | 3.385 | CC(=O)N1CCc2ccccc12 |
Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=O)N1CCc2c1cccc2 |
InChI | InChI | 1.06 | InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3 |
InChIKey | InChI | 1.06 | RNTCWULFNYNFGI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 27673 |
ChEMBL | CHEMBL3274978 |
CCDC/CSD | XIDPAB |