1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one

C16H17NO2 — CID 62023817

IUPAC1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1ccc(C(=O)Cn2c(C)cccc2=O)cc1C
InChIInChI=1S/C16H17NO2/c1-11-7-8-14(9-12(11)2)15(18)10-17-13(3)5-4-6-16(17)19/h4-9H,10H2,1-3H3
InChIKeyICFCJUOVSIEYSV-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one

1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one (PubChem CID 62023817) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one
PubChem CID62023817
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one
SMILESCc1ccc(C(=O)Cn2c(C)cccc2=O)cc1C
InChIInChI=1S/C16H17NO2/c1-11-7-8-14(9-12(11)2)15(18)10-17-13(3)5-4-6-16(17)19/h4-9H,10H2,1-3H3
InChIKeyICFCJUOVSIEYSV-UHFFFAOYSA-N
XLogP2.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-iodophenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62025283
1-[2-(4-bromophenyl)-2-oxoethyl]-6-methylpyridin-2-one
CID 15210283
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341613
1-(3,4-dimethylphenyl)-2-sulfanylethanone
CID 82125292
2-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3H-isoindol-1-one
CID 62022879
1-(3,4-dimethylphenyl)-2-[2-(3,4-dimethylphenyl)-2-oxoethyl]selanylethanone
CID 135086680
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-3-propan-2-ylimidazol-2-one
CID 80581295
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
1-(3,4-dimethylphenyl)-2-(2-methylimidazol-1-yl)ethanone
CID 43797940
5-[2-(3,4-dimethylphenyl)-2-oxoethyl]pyrazolo[1,5-a]pyrazin-4-one
CID 104735025
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
1-[2-(1-benzofuran-3-yl)-2-oxoethyl]-6-methylpyridin-2-one
CID 62024555

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one (CID 62023817) is 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one is Cc1ccc(C(=O)Cn2c(C)cccc2=O)cc1C.
What is the InChIKey of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one?
The InChIKey is ICFCJUOVSIEYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-11-7-8-14(9-12(11)2)15(18)10-17-13(3)5-4-6-16(17)19/h4-9H,10H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one?
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-methylpyridin-2-one is sourced from PubChem (CID 62023817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).