A1BMT
Summary
| Name: | 1-[(2S)-2-methyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| Formula: | C12 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 189.254 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(2S)-2-methyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 1-[(2~{R})-2-methyl-3,4-dihydro-2~{H}-quinolin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(=O)N1c2ccccc2CCC1C |
| InChI | InChI | 1.06 | InChI=1S/C12H15NO/c1-9-7-8-11-5-3-4-6-12(11)13(9)10(2)14/h3-6,9H,7-8H2,1-2H3 |
| InChIKey | InChI | 1.06 | IJTWYLGCGAIGAQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1CCc2ccccc2N1C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH]1CCc2ccccc2N1C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@@H]1CCc2ccccc2N1C(=O)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1CCc2ccccc2N1C(=O)C |
