2-Acetylpyrrole
Representations & DB's id
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| ChEBI: | CHEBI:59981 | |
|---|---|---|
| ChEMBL: | CHEMBL1414126 | |
| PubChem: | 14079 | |
| IUPAC: | 1-(1H-pyrrol-2-yl)ethanone | |
| Standard InChI: | InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 | |
| Standard InChI Key: | IGJQUJNPMOYEJY-UHFFFAOYSA-N | |
| SMILES: | CC(=O)c1ccc[nH]1 | |
Molecular propeties
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| AlogP: | 1.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 109.05 | |
| Topological polar surface area: | 32.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.167 | |
| Number of carbons: | 6 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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