ZS7
Summary
| Name: | 3-amino-1H-isoindol-1-one |
| Formula: | C8 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 146.146 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-amino-1H-isoindol-1-one |
| OpenEye OEToolkits | 2.0.7 | 3-azanylisoindol-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC1=NC(=O)c2ccccc12 |
| InChI | InChI | 1.03 | InChI=1S/C8H6N2O/c9-7-5-3-1-2-4-6(5)8(11)10-7/h1-4H,(H2,9,10,11) |
| InChIKey | InChI | 1.03 | MMBYJYAFFGKUDC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC1=NC(=O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | NC1=NC(=O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NC2=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)C(=NC2=O)N |
