KTO
Summary
| Name: | (1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one |
| Formula: | C8 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 155.194 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C8H13NO2/c10-8-4-6-2-1-3-7(5-8)9(6)11/h6-7,11H,1-5H2/t6-,7+ |
| InChIKey | InChI | 1.06 | KCMINNPTGLFCCL-KNVOCYPGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1[C@H]2CCC[C@@H]1CC(=O)C2 |
| SMILES | CACTVS | 3.385 | ON1[CH]2CCC[CH]1CC(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C[C@@H]2CC(=O)C[C@H](C1)N2O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1CC2CC(=O)CC(C1)N2O |
