1,5-dimethylpyridin-2-one

C7H9NO — CID 565112

IUPAC1,5-dimethylpyridin-2-one
SMILESCc1ccc(=O)n(C)c1
InChIInChI=1S/C7H9NO/c1-6-3-4-7(9)8(2)5-6/h3-5H,1-2H3
InChIKeyHQPIILKGTFWSDJ-UHFFFAOYSA-N
MW123.15 g/mol
LogP0.69
Rot. Bonds

About 1,5-dimethylpyridin-2-one

1,5-dimethylpyridin-2-one (PubChem CID 565112) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 1,5-dimethylpyridin-2-one.

Molecular Properties

Compound Name1,5-dimethylpyridin-2-one
PubChem CID565112
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name1,5-dimethylpyridin-2-one
SMILESCc1ccc(=O)n(C)c1
InChIInChI=1S/C7H9NO/c1-6-3-4-7(9)8(2)5-6/h3-5H,1-2H3
InChIKeyHQPIILKGTFWSDJ-UHFFFAOYSA-N
XLogP0.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylpyridin-2-one?
The IUPAC name of 1,5-dimethylpyridin-2-one (CID 565112) is 1,5-dimethylpyridin-2-one.
What is the SMILES notation for 1,5-dimethylpyridin-2-one?
The canonical SMILES for 1,5-dimethylpyridin-2-one is Cc1ccc(=O)n(C)c1.
What is the InChIKey of 1,5-dimethylpyridin-2-one?
The InChIKey is HQPIILKGTFWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c1-6-3-4-7(9)8(2)5-6/h3-5H,1-2H3.
What are the key properties of 1,5-dimethylpyridin-2-one?
1,5-dimethylpyridin-2-one has a molecular weight of 123.15 g/mol, XLogP of 0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylpyridin-2-one is sourced from PubChem (CID 565112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).