5-methyl-2H-pyridin-3-one

C6H7NO — CID 59855778

IUPAC5-methyl-2H-pyridin-3-one
SMILESCC1=CC(=O)CN=C1
InChIInChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-3H,4H2,1H3
InChIKeyQSHSGHFNEZGNPG-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.59
Rot. Bonds

About 5-methyl-2H-pyridin-3-one

5-methyl-2H-pyridin-3-one (PubChem CID 59855778) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-methyl-2H-pyridin-3-one.

Molecular Properties

Compound Name5-methyl-2H-pyridin-3-one
PubChem CID59855778
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-methyl-2H-pyridin-3-one
SMILESCC1=CC(=O)CN=C1
InChIInChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-3H,4H2,1H3
InChIKeyQSHSGHFNEZGNPG-UHFFFAOYSA-N
XLogP0.59
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2H-pyridin-3-one?
The IUPAC name of 5-methyl-2H-pyridin-3-one (CID 59855778) is 5-methyl-2H-pyridin-3-one.
What is the SMILES notation for 5-methyl-2H-pyridin-3-one?
The canonical SMILES for 5-methyl-2H-pyridin-3-one is CC1=CC(=O)CN=C1.
What is the InChIKey of 5-methyl-2H-pyridin-3-one?
The InChIKey is QSHSGHFNEZGNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-2-6(8)4-7-3-5/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-2H-pyridin-3-one?
5-methyl-2H-pyridin-3-one has a molecular weight of 109.13 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyridin-3-one is sourced from PubChem (CID 59855778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).