5MI
Summary
| Name: | 5-METHYL INDOLE |
| Formula: | C9 H9 N |
| Formal charge: | 0 |
| Formula weight: | 131.174 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-1H-indole |
| OpenEye OEToolkits | 1.9.2 | 5-methyl-1H-indole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(ccc2c1ccn2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H9N/c1-7-2-3-9-8(6-7)4-5-10-9/h2-6,10H,1H3 |
| InChIKey | InChI | 1.03 | YPKBCLZFIYBSHK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2[nH]ccc2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2[nH]ccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)cc[nH]2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1ccc2c(c1)cc[nH]2 |
