TNE
Summary
| Name: | 8-METHYL-8-AZABICYCLO[3,2,1]OCTAN-3-ONE |
| Synonyms: | TROPINONE |
| Formula: | C8 H13 N O |
| Formal charge: | 0 |
| Formula weight: | 139.195 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
| OpenEye OEToolkits | 1.5.0 | (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1CC2N(C)C(C1)CC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1[C@H]2CC[C@@H]1CC(=O)C2 |
| SMILES | CACTVS | 3.341 | CN1[CH]2CC[CH]1CC(=O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1[C@H]2CC[C@@H]1CC(=O)C2 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1C2CCC1CC(=O)C2 |
| InChI | InChI | 1.03 | InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3/t6-,7+ |
| InChIKey | InChI | 1.03 | QQXLDOJGLXJCSE-KNVOCYPGSA-N |
