X0M
Summary
| Name: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
| Formula: | C11 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 190.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1CC(CNc1ccc2)NC(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 |
| InChIKey | InChI | 1.03 | HCEIEGOMGWEGOJ-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1CNc2ccccc2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1CNc2ccccc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N[C@H]1Cc2ccccc2NC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)NC1Cc2ccccc2NC1 |
