A1AY2
Summary
| Name: | 2-methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| Formula: | C10 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 192.214 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methoxy-7,7-dimethyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one |
| OpenEye OEToolkits | 2.0.7 | 2-methoxy-7,7-dimethyl-6~{H}-pyrrolo[3,4-b]pyridin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1NC(C)(C)c2nc(ccc12)OC |
| InChI | InChI | 1.06 | InChI=1S/C10H12N2O2/c1-10(2)8-6(9(13)12-10)4-5-7(11-8)14-3/h4-5H,1-3H3,(H,12,13) |
| InChIKey | InChI | 1.06 | PZWRYLXDGPTZTO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2C(=O)NC(C)(C)c2n1 |
| SMILES | CACTVS | 3.385 | COc1ccc2C(=O)NC(C)(C)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(c2c(ccc(n2)OC)C(=O)N1)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(c2c(ccc(n2)OC)C(=O)N1)C |
