A1ED9
Summary
| Name: | 1-(1H-pyrrol-3-yl)ethanone |
| Synonyms: | 3-Acetylpyrrole |
| Formula: | C6 H7 N O |
| Formal charge: | 0 |
| Formula weight: | 109.126 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-(1~{H}-pyrrol-3-yl)ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H7NO/c1-5(8)6-2-3-7-4-6/h2-4,7H,1H3 |
| InChIKey | InChI | 1.06 | KHHSXHXUQVNBGA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)c1c[nH]cc1 |
| SMILES | CACTVS | 3.385 | CC(=O)c1c[nH]cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc[nH]c1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)c1cc[nH]c1 |
