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

C6H7NO — CID 21051755

IUPAC5-methyl-3H-pyridin-2-one
SMILESCC1=CCC(=O)N=C1
InChIInChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2,4H,3H2,1H3
InChIKeyNSVSEYLBCCSWKI-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.93
Rot. Bonds

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

5-methyl-3H-pyridin-2-one (PubChem CID 21051755) has the molecular formula C6H7NO and a molecular weight of 109.13 g/mol. Its IUPAC name is 5-methyl-3H-pyridin-2-one.

Molecular Properties

Compound Name5-methyl-3H-pyridin-2-one
PubChem CID21051755
Molecular FormulaC6H7NO
Molecular Weight109.13 g/mol
Exact Mass109.05
IUPAC Name5-methyl-3H-pyridin-2-one
SMILESCC1=CCC(=O)N=C1
InChIInChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2,4H,3H2,1H3
InChIKeyNSVSEYLBCCSWKI-UHFFFAOYSA-N
XLogP0.93
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-pyridin-2-one?
The IUPAC name of 5-methyl-3H-pyridin-2-one (CID 21051755) is 5-methyl-3H-pyridin-2-one.
What is the SMILES notation for 5-methyl-3H-pyridin-2-one?
The canonical SMILES for 5-methyl-3H-pyridin-2-one is CC1=CCC(=O)N=C1.
What is the InChIKey of 5-methyl-3H-pyridin-2-one?
The InChIKey is NSVSEYLBCCSWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO/c1-5-2-3-6(8)7-4-5/h2,4H,3H2,1H3.
What are the key properties of 5-methyl-3H-pyridin-2-one?
5-methyl-3H-pyridin-2-one has a molecular weight of 109.13 g/mol, XLogP of 0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-pyridin-2-one is sourced from PubChem (CID 21051755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).