X1J
Summary
| Name: | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one |
| Formula: | C10 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 176.215 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(5-amino-1,3-dihydro-2H-isoindol-2-yl)ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-(5-azanyl-1,3-dihydroisoindol-2-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c1c(CN(C1)C(=O)C)ccc2N |
| InChI | InChI | 1.03 | InChI=1S/C10H12N2O/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-12/h2-4H,5-6,11H2,1H3 |
| InChIKey | InChI | 1.03 | YIOYWZUOBVMFGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1Cc2ccc(N)cc2C1 |
| SMILES | CACTVS | 3.385 | CC(=O)N1Cc2ccc(N)cc2C1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccc(cc2C1)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1Cc2ccc(cc2C1)N |
