5RN
Summary
| Name: | 1-(1~{H}-indol-3-yl)ethanone |
| Formula: | C10 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 159.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1-(1~{H}-indol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3 |
| InChIKey | InChI | 1.03 | VUIMBZIZZFSQEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(=O)c1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)c1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)c1c[nH]c2c1cccc2 |
