DHQ
Summary
| Name: | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE |
| Formula: | C10 H11 N O |
| Formal charge: | 0 |
| Formula weight: | 161.2 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 5-methyl-3,4-dihydroisoquinolin-1(2H)-one |
| OpenEye OEToolkits | 1.5.0 | 5-methyl-3,4-dihydro-2H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1cccc(c1CCN2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1cccc2C(=O)NCCc12 |
| SMILES | CACTVS | 3.341 | Cc1cccc2C(=O)NCCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1CCNC2=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1cccc2c1CCNC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12) |
| InChIKey | InChI | 1.03 | RLLZPXDJYADIEU-UHFFFAOYSA-N |
