9BF
Summary
| Name: | 4-(1~{H}-indol-3-yl)butan-2-one |
| Formula: | C12 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 187.238 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 4-(1~{H}-indol-3-yl)butan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO/c1-9(14)6-7-10-8-13-12-5-3-2-4-11(10)12/h2-5,8,13H,6-7H2,1H3 |
| InChIKey | InChI | 1.03 | ZJCUUXGLZWBCIL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)CCc1c[nH]c2ccccc12 |
| SMILES | CACTVS | 3.385 | CC(=O)CCc1c[nH]c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)CCc1c[nH]c2c1cccc2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)CCc1c[nH]c2c1cccc2 |
