88Y
Summary
| Name: | 1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one |
| Formula: | C13 H14 N2 O |
| Formal charge: | 0 |
| Formula weight: | 214.263 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[5-(2-aminophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.6 | 1-[5-(2-aminophenyl)-2-methyl-1~{H}-pyrrol-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cccc(c1N)c2cc(c(n2)C)C(C)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H14N2O/c1-8-11(9(2)16)7-13(15-8)10-5-3-4-6-12(10)14/h3-7,15H,14H2,1-2H3 |
| InChIKey | InChI | 1.03 | WSWGBAXEVIRMAC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1cc([nH]c1C)c2ccccc2N |
| SMILES | CACTVS | 3.385 | CC(=O)c1cc([nH]c1C)c2ccccc2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(cc([nH]1)c2ccccc2N)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(cc([nH]1)c2ccccc2N)C(=O)C |
