2-Methyloxolan-3-One
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3188615 | |
| PubChem: | 18522 | |
| IUPAC: | 2-methyloxolan-3-one | |
| Standard InChI: | InChI=1S/C5H8O2/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 | |
| Standard InChI Key: | FCWYQRVIQDNGBI-UHFFFAOYSA-N | |
| SMILES: | O=C1CCOC1C | |
Molecular propeties
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| AlogP: | 0.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 1 | |
| Molecular Weight: | 100.05 | |
| Topological polar surface area: | 26.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.8 | |
| Number of carbons: | 5 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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