3,6-dimethyl-3H-pyridin-2-one

C7H9NO — CID 89375060

IUPAC3,6-dimethyl-3H-pyridin-2-one
SMILESCC1=NC(=O)C(C)C=C1
InChIInChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3-5H,1-2H3
InChIKeyWLXFRYRAAXWFSZ-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.18
Rot. Bonds

About 3,6-dimethyl-3H-pyridin-2-one

3,6-dimethyl-3H-pyridin-2-one (PubChem CID 89375060) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 3,6-dimethyl-3H-pyridin-2-one.

Molecular Properties

Compound Name3,6-dimethyl-3H-pyridin-2-one
PubChem CID89375060
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name3,6-dimethyl-3H-pyridin-2-one
SMILESCC1=NC(=O)C(C)C=C1
InChIInChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3-5H,1-2H3
InChIKeyWLXFRYRAAXWFSZ-UHFFFAOYSA-N
XLogP1.18
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-3H-pyridin-2-one?
The IUPAC name of 3,6-dimethyl-3H-pyridin-2-one (CID 89375060) is 3,6-dimethyl-3H-pyridin-2-one.
What is the SMILES notation for 3,6-dimethyl-3H-pyridin-2-one?
The canonical SMILES for 3,6-dimethyl-3H-pyridin-2-one is CC1=NC(=O)C(C)C=C1.
What is the InChIKey of 3,6-dimethyl-3H-pyridin-2-one?
The InChIKey is WLXFRYRAAXWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-5-3-4-6(2)8-7(5)9/h3-5H,1-2H3.
What are the key properties of 3,6-dimethyl-3H-pyridin-2-one?
3,6-dimethyl-3H-pyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-3H-pyridin-2-one is sourced from PubChem (CID 89375060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).