2H-pyridin-5-one

C5H5NO — CID 18359711

IUPAC2H-pyridin-5-one
SMILESO=C1C=CCN=C1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-2,4H,3H2
InChIKeyLFKQAJAEPPQNRV-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.20
Rot. Bonds

About 2H-pyridin-5-one

2H-pyridin-5-one (PubChem CID 18359711) has the molecular formula C5H5NO and a molecular weight of 95.10 g/mol. Its IUPAC name is 2H-pyridin-5-one.

Molecular Properties

Compound Name2H-pyridin-5-one
PubChem CID18359711
Molecular FormulaC5H5NO
Molecular Weight95.10 g/mol
Exact Mass95.04
IUPAC Name2H-pyridin-5-one
SMILESO=C1C=CCN=C1
InChIInChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-2,4H,3H2
InChIKeyLFKQAJAEPPQNRV-UHFFFAOYSA-N
XLogP0.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-5-one?
The IUPAC name of 2H-pyridin-5-one (CID 18359711) is 2H-pyridin-5-one.
What is the SMILES notation for 2H-pyridin-5-one?
The canonical SMILES for 2H-pyridin-5-one is O=C1C=CCN=C1.
What is the InChIKey of 2H-pyridin-5-one?
The InChIKey is LFKQAJAEPPQNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-2,4H,3H2.
What are the key properties of 2H-pyridin-5-one?
2H-pyridin-5-one has a molecular weight of 95.10 g/mol, XLogP of 0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridin-5-one is sourced from PubChem (CID 18359711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).