1-hydroxy-2,4-dihydropyridin-3-one

C5H7NO2 — CID 54253218

IUPAC1-hydroxy-2,4-dihydropyridin-3-one
SMILESO=C1CC=CN(O)C1
InChIInChI=1S/C5H7NO2/c7-5-2-1-3-6(8)4-5/h1,3,8H,2,4H2
InChIKeyQYFKOFDAZIXIOS-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.16
Rot. Bonds

About 1-hydroxy-2,4-dihydropyridin-3-one

1-hydroxy-2,4-dihydropyridin-3-one (PubChem CID 54253218) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 1-hydroxy-2,4-dihydropyridin-3-one.

Molecular Properties

Compound Name1-hydroxy-2,4-dihydropyridin-3-one
PubChem CID54253218
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name1-hydroxy-2,4-dihydropyridin-3-one
SMILESO=C1CC=CN(O)C1
InChIInChI=1S/C5H7NO2/c7-5-2-1-3-6(8)4-5/h1,3,8H,2,4H2
InChIKeyQYFKOFDAZIXIOS-UHFFFAOYSA-N
XLogP0.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,4-dihydropyridin-3-one?
The IUPAC name of 1-hydroxy-2,4-dihydropyridin-3-one (CID 54253218) is 1-hydroxy-2,4-dihydropyridin-3-one.
What is the SMILES notation for 1-hydroxy-2,4-dihydropyridin-3-one?
The canonical SMILES for 1-hydroxy-2,4-dihydropyridin-3-one is O=C1CC=CN(O)C1.
What is the InChIKey of 1-hydroxy-2,4-dihydropyridin-3-one?
The InChIKey is QYFKOFDAZIXIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c7-5-2-1-3-6(8)4-5/h1,3,8H,2,4H2.
What are the key properties of 1-hydroxy-2,4-dihydropyridin-3-one?
1-hydroxy-2,4-dihydropyridin-3-one has a molecular weight of 113.12 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,4-dihydropyridin-3-one is sourced from PubChem (CID 54253218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).