A1CFZ
Summary
| Name: | (4aS,8aR)-octahydroquinoxalin-2(1H)-one |
| Formula: | C8 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 154.21 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (4aS,8aR)-octahydroquinoxalin-2(1H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (4~{a}~{S},8~{a}~{R})-3,4,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-quinoxalin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C1NC2CCCCC2NC1 |
| InChI | InChI | 1.06 | InChI=1S/C8H14N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h6-7,9H,1-5H2,(H,10,11)/t6-,7+/m0/s1 |
| InChIKey | InChI | 1.06 | JPYREMMLJKWDCF-NKWVEPMBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1CN[C@H]2CCCC[C@H]2N1 |
| SMILES | CACTVS | 3.385 | O=C1CN[CH]2CCCC[CH]2N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CC[C@@H]2[C@H](C1)NCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CCC2C(C1)NCC(=O)N2 |
