1H-pyridin-2-one

C5H5NO — CID 8871

IUPAC1H-pyridin-2-one
SMILESO=c1cccc[nH]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyUBQKCCHYAOITMY-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.37
Rot. Bonds

About 1H-pyridin-2-one

1H-pyridin-2-one (PubChem CID 8871) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 1H-pyridin-2-one.

Molecular Properties

Compound Name1H-pyridin-2-one
PubChem CID8871
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name1H-pyridin-2-one
SMILESO=c1cccc[nH]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
InChIKeyUBQKCCHYAOITMY-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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Frequently Asked Questions

What is the IUPAC name of 1H-pyridin-2-one?
The IUPAC name of 1H-pyridin-2-one (CID 8871) is 1H-pyridin-2-one.
What is the SMILES notation for 1H-pyridin-2-one?
The canonical SMILES for 1H-pyridin-2-one is O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one?
The InChIKey is UBQKCCHYAOITMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7).
What are the key properties of 1H-pyridin-2-one?
1H-pyridin-2-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-2-one is sourced from PubChem (CID 8871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).