KGE
Summary
| Name: | (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol |
| Formula: | C6 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 129.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},3~{R})-2-(hydroxymethyl)-1,2,3,6-tetrahydropyridin-3-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO2/c8-4-5-6(9)2-1-3-7-5/h1-2,5-9H,3-4H2/t5-,6+/m0/s1 |
| InChIKey | InChI | 1.03 | IIZFBLMFSCOJPJ-NTSWFWBYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1NCC=C[C@H]1O |
| SMILES | CACTVS | 3.385 | OC[CH]1NCC=C[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1C=C[C@H]([C@@H](N1)CO)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C=CC(C(N1)CO)O |
