Pyrrole-2-Carboxylate
Representations & DB's id
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| ChEBI: | CHEBI:59978 | |
|---|---|---|
| ChEMBL: | CHEMBL2229658 | |
| PubChem: | 13854 | |
| IUPAC: | 1H-pyrrole-2-carbaldehyde | |
| Standard InChI: | InChI=1S/C5H5NO/c7-4-5-2-1-3-6-5/h1-4,6H | |
| Standard InChI Key: | ZSKGQVFRTSEPJT-UHFFFAOYSA-N | |
| SMILES: | O=Cc1ccc[nH]1 | |
Molecular propeties
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| AlogP: | 0.83 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 95.04 | |
| Topological polar surface area: | 32.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0 | |
| Number of carbons: | 5 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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