1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one

C14H15NO2S — CID 55158024

IUPAC1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(C(=O)Cn2cccc(C)c2=O)c(C)s1
InChIInChI=1S/C14H15NO2S/c1-9-5-4-6-15(14(9)17)8-13(16)12-7-10(2)18-11(12)3/h4-7H,8H2,1-3H3
InChIKeyWJEJBYQYXOYELM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.72
Rot. Bonds3

About 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one

1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one (PubChem CID 55158024) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one
PubChem CID55158024
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one
SMILESCc1cc(C(=O)Cn2cccc(C)c2=O)c(C)s1
InChIInChI=1S/C14H15NO2S/c1-9-5-4-6-15(14(9)17)8-13(16)12-7-10(2)18-11(12)3/h4-7H,8H2,1-3H3
InChIKeyWJEJBYQYXOYELM-UHFFFAOYSA-N
XLogP2.72
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one (CID 55158024) is 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one is Cc1cc(C(=O)Cn2cccc(C)c2=O)c(C)s1.
What is the InChIKey of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one?
The InChIKey is WJEJBYQYXOYELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-9-5-4-6-15(14(9)17)8-13(16)12-7-10(2)18-11(12)3/h4-7H,8H2,1-3H3.
What are the key properties of 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one?
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyridin-2-one is sourced from PubChem (CID 55158024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).