QPR
Summary
| Name: | 1-(1-methylindol-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 | 2.0.6 | 1-(1-methylindol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H11NO/c1-8(13)10-7-12(2)11-6-4-3-5-9(10)11/h3-7H,1-2H3 |
| InChIKey | InChI | 1.03 | HYLFRICFKVJJOZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1cc(C(C)=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | Cn1cc(C(C)=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cn(c2c1cccc2)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)c1cn(c2c1cccc2)C |
