JOD
Summary
| Name: | (5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one |
| Formula: | C9 H13 N O3 |
| Formal charge: | 0 |
| Formula weight: | 183.204 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5S,8R,8aS)-8-hydroxyhexahydro-3H-5,8-ethano[1,3]oxazolo[3,4-a]pyridin-3-one |
| OpenEye OEToolkits | 2.0.6 | (6~{S})-7-oxidanyl-4-oxa-2-azatricyclo[5.2.2.0^{2,6}]undecan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C2C1C3(O)CCC(N1C(O2)=O)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C9H13NO3/c11-8-10-6-1-3-9(12,4-2-6)7(10)5-13-8/h6-7,12H,1-5H2/t6-,7-,9-/m0/s1 |
| InChIKey | InChI | 1.03 | MSUGLWGWBLRILS-ZKWXMUAHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC12CCC(CC1)N3[C@H]2COC3=O |
| SMILES | CACTVS | 3.385 | OC12CCC(CC1)N3[CH]2COC3=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C1CC2(CCC1N3[C@H]2COC3=O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | C1CC2(CCC1N3C2COC3=O)O |
