A1BM6
Summary
| Name: | (4S,8aS)-hexahydroimidazo[1,5-a]pyridin-3(2H)-one |
| Formula: | C7 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 140.183 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4S,8aS)-hexahydroimidazo[1,5-a]pyridin-3(2H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (8~{a}~{S})-2,5,6,7,8,8~{a}-hexahydro-1~{H}-imidazo[1,5-a]pyridin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NCC2CCCCN12 |
| InChI | InChI | 1.06 | InChI=1S/C7H12N2O/c10-7-8-5-6-3-1-2-4-9(6)7/h6H,1-5H2,(H,8,10)/t6-/m0/s1 |
| InChIKey | InChI | 1.06 | QIWVINXQBDDSBJ-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1NC[C@@H]2CCCCN12 |
| SMILES | CACTVS | 3.385 | O=C1NC[CH]2CCCCN12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CCN2[C@@H](C1)CNC2=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCN2C(C1)CNC2=O |
