4P0
Summary
| Name: | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone |
| Formula: | C10 H15 N O |
| Formal charge: | 0 |
| Formula weight: | 165.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-2-en-2-yl]ethanone |
| OpenEye OEToolkits | 1.9.2 | 1-[(1R,6R)-9-azabicyclo[4.2.1]non-4-en-5-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)(C=1C2CCC(CCC=1)N2)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H15NO/c1-7(12)9-4-2-3-8-5-6-10(9)11-8/h4,8,10-11H,2-3,5-6H2,1H3/t8-,10-/m1/s1 |
| InChIKey | InChI | 1.03 | SGNXVBOIDPPRJJ-PSASIEDQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |
| SMILES | CACTVS | 3.385 | CC(=O)C1=CCC[CH]2CC[CH]1N2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)C1=CCC[C@@H]2CC[C@H]1N2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)C1=CCCC2CCC1N2 |
