1-(1-hydroxyethyl)pyridin-2-one

C7H9NO2 — CID 22565526

IUPAC1-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)n1ccccc1=O
InChIInChI=1S/C7H9NO2/c1-6(9)8-5-3-2-4-7(8)10/h2-6,9H,1H3
InChIKeyPJRLEMXBQBKRPG-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.36
Rot. Bonds1

About 1-(1-hydroxyethyl)pyridin-2-one

1-(1-hydroxyethyl)pyridin-2-one (PubChem CID 22565526) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-(1-hydroxyethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-hydroxyethyl)pyridin-2-one
PubChem CID22565526
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-(1-hydroxyethyl)pyridin-2-one
SMILESCC(O)n1ccccc1=O
InChIInChI=1S/C7H9NO2/c1-6(9)8-5-3-2-4-7(8)10/h2-6,9H,1H3
InChIKeyPJRLEMXBQBKRPG-UHFFFAOYSA-N
XLogP0.36
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxyethyl)pyridin-2-one?
The IUPAC name of 1-(1-hydroxyethyl)pyridin-2-one (CID 22565526) is 1-(1-hydroxyethyl)pyridin-2-one.
What is the SMILES notation for 1-(1-hydroxyethyl)pyridin-2-one?
The canonical SMILES for 1-(1-hydroxyethyl)pyridin-2-one is CC(O)n1ccccc1=O.
What is the InChIKey of 1-(1-hydroxyethyl)pyridin-2-one?
The InChIKey is PJRLEMXBQBKRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-6(9)8-5-3-2-4-7(8)10/h2-6,9H,1H3.
What are the key properties of 1-(1-hydroxyethyl)pyridin-2-one?
1-(1-hydroxyethyl)pyridin-2-one has a molecular weight of 139.15 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxyethyl)pyridin-2-one is sourced from PubChem (CID 22565526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).