5-(3,4-dimethylphenyl)-1H-pyridin-2-one

C13H13NO — CID 90292651

IUPAC5-(3,4-dimethylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C13H13NO/c1-9-3-4-11(7-10(9)2)12-5-6-13(15)14-8-12/h3-8H,1-2H3,(H,14,15)
InChIKeyYSKUFAIFABFXLK-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.66
Rot. Bonds1

About 5-(3,4-dimethylphenyl)-1H-pyridin-2-one

5-(3,4-dimethylphenyl)-1H-pyridin-2-one (PubChem CID 90292651) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-1H-pyridin-2-one
PubChem CID90292651
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name5-(3,4-dimethylphenyl)-1H-pyridin-2-one
SMILESCc1ccc(-c2ccc(=O)[nH]c2)cc1C
InChIInChI=1S/C13H13NO/c1-9-3-4-11(7-10(9)2)12-5-6-13(15)14-8-12/h3-8H,1-2H3,(H,14,15)
InChIKeyYSKUFAIFABFXLK-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 117001505
5-(4-methylnaphthalen-1-yl)-1H-pyridin-2-one
CID 53405290
5-phenyl-1H-pyridin-2-one
CID 10057963
3-(3,4-dimethylphenyl)-1H-pyrrole;ethane
CID 154686407
5-(6-methoxynaphthalen-2-yl)-1H-pyridin-2-one
CID 122358466
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
5-(4-methylsulfonylphenyl)-1H-pyridin-2-one
CID 53218127
ethyl 3-(6-oxo-1H-pyridin-3-yl)benzoate
CID 122358497
4-(3,4-dimethylphenyl)-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137025492
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
2-fluoro-5-(6-oxo-1H-pyridin-3-yl)benzonitrile
CID 122200262
ethane;bis(5-methyl-1H-pyridin-2-one)
CID 160548099

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-1H-pyridin-2-one?
The IUPAC name of 5-(3,4-dimethylphenyl)-1H-pyridin-2-one (CID 90292651) is 5-(3,4-dimethylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(3,4-dimethylphenyl)-1H-pyridin-2-one is Cc1ccc(-c2ccc(=O)[nH]c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-1H-pyridin-2-one?
The InChIKey is YSKUFAIFABFXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-9-3-4-11(7-10(9)2)12-5-6-13(15)14-8-12/h3-8H,1-2H3,(H,14,15).
What are the key properties of 5-(3,4-dimethylphenyl)-1H-pyridin-2-one?
5-(3,4-dimethylphenyl)-1H-pyridin-2-one has a molecular weight of 199.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 90292651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).