VF9
Summary
| Name: | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one |
| Formula: | C12 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 207.269 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(2S)-2-(furan-2-yl)azepan-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(2~{S})-2-(furan-2-yl)azepan-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC(=O)N1CCCCCC1c1ccco1 |
| InChI | InChI | 1.06 | InChI=1S/C12H17NO2/c1-10(14)13-8-4-2-3-6-11(13)12-7-5-9-15-12/h5,7,9,11H,2-4,6,8H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.06 | QOYGJLCZJYYQLA-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1CCCCC[C@H]1c2occc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1CCCCC[CH]1c2occc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCCC[C@H]1c2ccco2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CCCCCC1c2ccco2 |
