About 4-(2-hydroxyethyl)-1H-pyridin-2-one
4-(2-hydroxyethyl)-1H-pyridin-2-one (PubChem CID 139832292) has the molecular formula C7H9NO2
and a molecular weight of 139.15 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-1H-pyridin-2-one.
Molecular Properties
| Compound Name | 4-(2-hydroxyethyl)-1H-pyridin-2-one |
| PubChem CID | 139832292 |
| Molecular Formula | C7H9NO2 |
| Molecular Weight | 139.15 g/mol |
| Exact Mass | 139.06 |
| IUPAC Name | 4-(2-hydroxyethyl)-1H-pyridin-2-one |
| SMILES | O=c1cc(CCO)cc[nH]1 |
| InChI | InChI=1S/C7H9NO2/c9-4-2-6-1-3-8-7(10)5-6/h1,3,5,9H,2,4H2,(H,8,10) |
| InChIKey | WUFUOWAPJLAYCH-UHFFFAOYSA-N |
| XLogP | -0.09 |
| TPSA | 53.09 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 10 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 139.15 |
| LogP ≤ 5 | -0.09 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-(2-hydroxyethyl)-1H-pyridin-2-one?
The IUPAC name of 4-(2-hydroxyethyl)-1H-pyridin-2-one (CID 139832292) is 4-(2-hydroxyethyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(2-hydroxyethyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(2-hydroxyethyl)-1H-pyridin-2-one is O=c1cc(CCO)cc[nH]1.
What is the InChIKey of 4-(2-hydroxyethyl)-1H-pyridin-2-one?
The InChIKey is WUFUOWAPJLAYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c9-4-2-6-1-3-8-7(10)5-6/h1,3,5,9H,2,4H2,(H,8,10).
What are the key properties of 4-(2-hydroxyethyl)-1H-pyridin-2-one?
4-(2-hydroxyethyl)-1H-pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-1H-pyridin-2-one is sourced from PubChem (CID 139832292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).