5RO
Summary
| Name: | 1-(7-methyl-1~{H}-indol-3-yl)ethanone |
| Formula: | C11 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 173.211 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 1-(7-methyl-1~{H}-indol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO/c1-7-4-3-5-9-10(8(2)13)6-12-11(7)9/h3-6,12H,1-2H3 |
| InChIKey | InChI | 1.03 | LJRVPYJAWOKMGL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c[nH]c2c(C)cccc12 |
| SMILES | CACTVS | 3.385 | CC(=O)c1c[nH]c2c(C)cccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1[nH]cc2C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.4 | Cc1cccc2c1[nH]cc2C(=O)C |
