6-methyl-1H-pyridin-2-one

C24H28N4O4 — CID 139059563

IUPAC6-methyl-1H-pyridin-2-one
SMILESCc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1
InChIInChI=1S/4C6H7NO/c4*1-5-3-2-4-6(8)7-5/h4*2-4H,1H3,(H,7,8)
InChIKeyICAIQNLUQRQSJT-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.73
Rot. Bonds

About 6-methyl-1H-pyridin-2-one

6-methyl-1H-pyridin-2-one (PubChem CID 139059563) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-methyl-1H-pyridin-2-one
PubChem CID139059563
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name6-methyl-1H-pyridin-2-one
SMILESCc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1
InChIInChI=1S/4C6H7NO/c4*1-5-3-2-4-6(8)7-5/h4*2-4H,1H3,(H,7,8)
InChIKeyICAIQNLUQRQSJT-UHFFFAOYSA-N
XLogP2.73
TPSA131.44 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1H-pyridin-2-one?
The IUPAC name of 6-methyl-1H-pyridin-2-one (CID 139059563) is 6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-methyl-1H-pyridin-2-one is Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(=O)[nH]1.
What is the InChIKey of 6-methyl-1H-pyridin-2-one?
The InChIKey is ICAIQNLUQRQSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H7NO/c4*1-5-3-2-4-6(8)7-5/h4*2-4H,1H3,(H,7,8).
What are the key properties of 6-methyl-1H-pyridin-2-one?
6-methyl-1H-pyridin-2-one has a molecular weight of 436.51 g/mol, XLogP of 2.73, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 139059563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).