IQD
Summary
| Name: | 5-hydroxyisoquinolin-1(4H)-one |
| Formula: | C9 H7 N O2 |
| Formal charge: | 0 |
| Formula weight: | 161.157 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-hydroxyisoquinolin-1(4H)-one |
| OpenEye OEToolkits | 1.9.2 | 5-oxidanyl-4H-isoquinolin-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N=CCc1c2cccc1O |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2/c11-8-3-1-2-7-6(8)4-5-10-9(7)12/h1-3,5,11H,4H2 |
| InChIKey | InChI | 1.03 | CZNCPDOFCRAVBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc2C(=O)N=CCc12 |
| SMILES | CACTVS | 3.385 | Oc1cccc2C(=O)N=CCc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)O)CC=NC2=O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc2c(c(c1)O)CC=NC2=O |
