1H-pyridin-4-one

C5H5NO — CID 12290

IUPAC1H-pyridin-4-one
SMILESO=c1cc[nH]cc1
InChIInChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKeyGCNTZFIIOFTKIY-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.37
Rot. Bonds

About 1H-pyridin-4-one

1H-pyridin-4-one (PubChem CID 12290) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 1H-pyridin-4-one.

Molecular Properties

Compound Name1H-pyridin-4-one
PubChem CID12290
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name1H-pyridin-4-one
SMILESO=c1cc[nH]cc1
InChIInChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKeyGCNTZFIIOFTKIY-UHFFFAOYSA-N
XLogP0.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Aminopyridin-4-ol
CID 233392
2-Chloro-4(1H)-pyridinone
CID 87010
N-Methyl-4-pyridone
CID 136515
2-Aminopyridin-4-ol
CID 820936
3-Buten-2-one, 4-amino-, (E)-
CID 4054588
1,2,3,4-Tetrahydropyridin-4-one
CID 12223638
3-Iodopyridin-4-Ol
CID 581196
3-Bromo-4-pyridinol
CID 599549
(3E)-1,1,1-Trifluoro-4-(methylamino)but-3-EN-2-one
CID 2303875
methyl b-(N-ethyl) aminovinyl ketone
CID 10678206
(E)-4-Methylamino-but-3-en-2-one
CID 13010871
3-Buten-2-one, 4-(methylamino)-, (Z)-
CID 23278647

Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-4-one?
The IUPAC name of 1H-pyridin-4-one (CID 12290) is 1H-pyridin-4-one.
What is the SMILES notation for 1H-pyridin-4-one?
The canonical SMILES for 1H-pyridin-4-one is O=c1cc[nH]cc1.
What is the InChIKey of 1H-pyridin-4-one?
The InChIKey is GCNTZFIIOFTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7).
What are the key properties of 1H-pyridin-4-one?
1H-pyridin-4-one has a molecular weight of 95.10 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-4-one is sourced from PubChem (CID 12290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).