5WV
Summary
| Name: | 2-methyl-3~{H}-isoindol-1-one |
| Formula: | C9 H9 N O |
| Formal charge: | 0 |
| Formula weight: | 147.174 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | 2-methyl-3~{H}-isoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H9NO/c1-10-6-7-4-2-3-5-8(7)9(10)11/h2-5H,6H2,1H3 |
| InChIKey | InChI | 1.03 | JHMBTUMIVBSJFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1Cc2ccccc2C1=O |
| SMILES | CACTVS | 3.385 | CN1Cc2ccccc2C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CN1Cc2ccccc2C1=O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CN1Cc2ccccc2C1=O |
