0SY
Summary
| Name: | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
| Formula: | C12 H11 N3 O |
| Formal charge: | 0 |
| Formula weight: | 213.235 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(pyridin-4-yl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one |
| OpenEye OEToolkits | 1.7.6 | 2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2c1cc(nc1CCN2)c3ccncc3 |
| InChI | InChI | 1.03 | InChI=1S/C12H11N3O/c16-12-9-7-11(8-1-4-13-5-2-8)15-10(9)3-6-14-12/h1-2,4-5,7,15H,3,6H2,(H,14,16) |
| InChIKey | InChI | 1.03 | DKXHSOUZPMHNIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C1NCCc2[nH]c(cc12)c3ccncc3 |
| SMILES | CACTVS | 3.370 | O=C1NCCc2[nH]c(cc12)c3ccncc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cnccc1c2cc3c([nH]2)CCNC3=O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cnccc1c2cc3c([nH]2)CCNC3=O |
