1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one

C14H15NO2S — CID 55152741

IUPAC1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCCc1ccc(C(=O)Cn2ccc(C)cc2=O)s1
InChIInChI=1S/C14H15NO2S/c1-3-11-4-5-13(18-11)12(16)9-15-7-6-10(2)8-14(15)17/h4-8H,3,9H2,1-2H3
InChIKeyWJOLJNIOOJGRIM-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.66
Rot. Bonds4

About 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one

1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one (PubChem CID 55152741) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one.

Molecular Properties

Compound Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one
PubChem CID55152741
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one
SMILESCCc1ccc(C(=O)Cn2ccc(C)cc2=O)s1
InChIInChI=1S/C14H15NO2S/c1-3-11-4-5-13(18-11)12(16)9-15-7-6-10(2)8-14(15)17/h4-8H,3,9H2,1-2H3
InChIKeyWJOLJNIOOJGRIM-UHFFFAOYSA-N
XLogP2.66
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one?
The IUPAC name of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one (CID 55152741) is 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one.
What is the SMILES notation for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one?
The canonical SMILES for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one is CCc1ccc(C(=O)Cn2ccc(C)cc2=O)s1.
What is the InChIKey of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one?
The InChIKey is WJOLJNIOOJGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-11-4-5-13(18-11)12(16)9-15-7-6-10(2)8-14(15)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one?
1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one has a molecular weight of 261.35 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-ethylthiophen-2-yl)-2-oxoethyl]-4-methylpyridin-2-one is sourced from PubChem (CID 55152741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).