QNN
Summary
| Name: | (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
| Formula: | C8 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 139.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-methyl-1-azabicyclo[2.2.2]octan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO/c1-6-8(10)7-2-4-9(6)5-3-7/h6-7H,2-5H2,1H3/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | LGOHLIRGPFPGKT-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N2CCC(CC2)C1=O |
| SMILES | CACTVS | 3.385 | C[CH]1N2CCC(CC2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1C(=O)C2CCN1CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1C(=O)C2CCN1CC2 |
