4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one

C11H11NO2S — CID 54685834

IUPAC4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cccs1
InChIInChI=1S/C11H11NO2S/c1-8-5-9(13)6-11(14)12(8)7-10-3-2-4-15-10/h2-6,13H,7H2,1H3
InChIKeyUZIJMWIRQWVIMV-UHFFFAOYSA-N
MW221.28 g/mol
LogP1.97
Rot. Bonds2

About 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one

4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one (PubChem CID 54685834) has the molecular formula C11H11NO2S and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one
PubChem CID54685834
Molecular FormulaC11H11NO2S
Molecular Weight221.28 g/mol
Exact Mass221.05
IUPAC Name4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one
SMILESCc1cc(O)cc(=O)n1Cc1cccs1
InChIInChI=1S/C11H11NO2S/c1-8-5-9(13)6-11(14)12(8)7-10-3-2-4-15-10/h2-6,13H,7H2,1H3
InChIKeyUZIJMWIRQWVIMV-UHFFFAOYSA-N
XLogP1.97
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one?
The IUPAC name of 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one (CID 54685834) is 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one is Cc1cc(O)cc(=O)n1Cc1cccs1.
What is the InChIKey of 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one?
The InChIKey is UZIJMWIRQWVIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S/c1-8-5-9(13)6-11(14)12(8)7-10-3-2-4-15-10/h2-6,13H,7H2,1H3.
What are the key properties of 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one?
4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one has a molecular weight of 221.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-1-(thiophen-2-ylmethyl)pyridin-2-one is sourced from PubChem (CID 54685834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).