ICC
Summary
| Name: | azepan-2-one |
| Formula: | C6 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 113.158 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | azepan-2-one |
| OpenEye OEToolkits | 1.5.0 | azepan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NCCCCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | O=C1CCCCCN1 |
| SMILES | CACTVS | 3.341 | O=C1CCCCCN1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CCC(=O)NCC1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CCC(=O)NCC1 |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8) |
| InChIKey | InChI | 1.03 | JBKVHLHDHHXQEQ-UHFFFAOYSA-N |
