1H-pyridin-4-one

C10H10N2O2 — CID 53435124

IUPAC1H-pyridin-4-one
SMILESO=c1cc[nH]cc1.O=c1cc[nH]cc1
InChIInChI=1S/2C5H5NO/c2*7-5-1-3-6-4-2-5/h2*1-4H,(H,6,7)
InChIKeyCVEZUBSHCGBCOX-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.75
Rot. Bonds

About 1H-pyridin-4-one

1H-pyridin-4-one (PubChem CID 53435124) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1H-pyridin-4-one.

Molecular Properties

Compound Name1H-pyridin-4-one
PubChem CID53435124
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1H-pyridin-4-one
SMILESO=c1cc[nH]cc1.O=c1cc[nH]cc1
InChIInChI=1S/2C5H5NO/c2*7-5-1-3-6-4-2-5/h2*1-4H,(H,6,7)
InChIKeyCVEZUBSHCGBCOX-UHFFFAOYSA-N
XLogP0.75
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxypyridine
CID 12290
3-Aminopyridin-4-ol
CID 233392
2-Aminopyridin-4-ol
CID 820936
(E)-4-Methylamino-but-3-en-2-one
CID 13010871
3-Buten-2-one, 4-(methylamino)-, (Z)-
CID 23278647
2-Aminopyridin-4-ol hydrochloride
CID 46835443
Pyridin-4(1H)-one--water (1/1)
CID 19773970
4-Pyridone hydrochloride
CID 12219127
3-Buten-2-one, 4-(methylamino)-
CID 59040468
Azo-4-pyridone
CID 129826432
1,3-Dihydropyridin-3-id-4-one;rutherfordium
CID 164681702
silver 1H-pyridin-4-one
CID 102401470

Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-4-one?
The IUPAC name of 1H-pyridin-4-one (CID 53435124) 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.O=c1cc[nH]cc1.
What is the InChIKey of 1H-pyridin-4-one?
The InChIKey is CVEZUBSHCGBCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5NO/c2*7-5-1-3-6-4-2-5/h2*1-4H,(H,6,7).
What are the key properties of 1H-pyridin-4-one?
1H-pyridin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-4-one is sourced from PubChem (CID 53435124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).