1-Methylpyrrole
Representations & DB's id
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| ChEBI: | CHEBI:89012 | |
|---|---|---|
| ChEMBL: | CHEMBL1234459 | |
| PubChem: | 7304 | |
| IUPAC: | 1-methylpyrrole | |
| Standard InChI: | InChI=1S/C5H7N/c1-6-4-2-3-5-6/h2-5H,1H3 | |
| Standard InChI Key: | OXHNLMTVIGZXSG-UHFFFAOYSA-N | |
| SMILES: | Cn1cccc1 | |
Molecular propeties
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| AlogP: | 1.03 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 81.06 | |
| Topological polar surface area: | 4.9 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.2 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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