3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one

C11H11NOS — CID 116621489

IUPAC3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2ccsc2)c1=O
InChIInChI=1S/C11H11NOS/c1-9-3-2-5-12(11(9)13)7-10-4-6-14-8-10/h2-6,8H,7H2,1H3
InChIKeyNMMZKLCRLSYKNJ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.27
Rot. Bonds2

About 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one

3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one (PubChem CID 116621489) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
PubChem CID116621489
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one
SMILESCc1cccn(Cc2ccsc2)c1=O
InChIInChI=1S/C11H11NOS/c1-9-3-2-5-12(11(9)13)7-10-4-6-14-8-10/h2-6,8H,7H2,1H3
InChIKeyNMMZKLCRLSYKNJ-UHFFFAOYSA-N
XLogP2.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(aminomethyl)phenyl]methyl]-3-methylpyridin-2-one
CID 63172505
3-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-2-one
CID 115610775
2-[4-[(3-methyl-2-oxo-1-pyridinyl)methyl]phenyl]acetohydrazide
CID 105352210
1-(thiophen-3-ylmethyl)pyrrole-2-carbothioamide
CID 114654220
ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
1-(methoxymethyl)-3-methylpyridin-2-one
CID 14787164
1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
N'-hydroxy-1-(thiophen-3-ylmethyl)pyrrole-2-carboximidamide
CID 114654780
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzohydrazide
CID 63579248
1-[(1-ethylimidazol-2-yl)methyl]-3-methylpyridin-2-one
CID 115616696
3-methyl-1-(3-methylsulfonylpropyl)pyridin-2-one
CID 115610761

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one (CID 116621489) is 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one is Cc1cccn(Cc2ccsc2)c1=O.
What is the InChIKey of 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
The InChIKey is NMMZKLCRLSYKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-9-3-2-5-12(11(9)13)7-10-4-6-14-8-10/h2-6,8H,7H2,1H3.
What are the key properties of 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one?
3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one has a molecular weight of 205.28 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thiophen-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 116621489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).