8F4
Summary
| Name: | (3~{S})-3-azanylazepan-2-one |
| Formula: | C6 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 128.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (3~{S})-3-azanylazepan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | BOWUOGIPSRVRSJ-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CCCCNC1=O |
| SMILES | CACTVS | 3.385 | N[CH]1CCCCNC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CCNC(=O)[C@H](C1)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CCNC(=O)C(C1)N |
