4-methyl-2H-pyridin-3-one

C6H7NO — CID 18699033

IUPAC4-methyl-2H-pyridin-3-one
SMILESCC1=CC=NCC1=O
InChIInChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-3H,4H2,1H3
InChIKeyOMNAMYLCCKXZPP-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.59
Rot. Bonds

About 4-methyl-2H-pyridin-3-one

4-methyl-2H-pyridin-3-one (PubChem CID 18699033) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 4-methyl-2H-pyridin-3-one.

Molecular Properties

Compound Name4-methyl-2H-pyridin-3-one
PubChem CID18699033
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name4-methyl-2H-pyridin-3-one
SMILESCC1=CC=NCC1=O
InChIInChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-3H,4H2,1H3
InChIKeyOMNAMYLCCKXZPP-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 4-methyl-2H-pyridin-3-one?
The IUPAC name of 4-methyl-2H-pyridin-3-one (CID 18699033) is 4-methyl-2H-pyridin-3-one.
What is the SMILES notation for 4-methyl-2H-pyridin-3-one?
The canonical SMILES for 4-methyl-2H-pyridin-3-one is CC1=CC=NCC1=O.
What is the InChIKey of 4-methyl-2H-pyridin-3-one?
The InChIKey is OMNAMYLCCKXZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-3H,4H2,1H3.
What are the key properties of 4-methyl-2H-pyridin-3-one?
4-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 4-methyl-2H-pyridin-3-one is sourced from PubChem (CID 18699033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).