1-(1-benzothiophen-3-ylmethyl)pyridin-2-one

C14H11NOS — CID 116618456

IUPAC1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1csc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14-7-3-4-8-15(14)9-11-10-17-13-6-2-1-5-12(11)13/h1-8,10H,9H2
InChIKeyQMBPIOZTIZRZSN-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.11
Rot. Bonds2

About 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one

1-(1-benzothiophen-3-ylmethyl)pyridin-2-one (PubChem CID 116618456) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one.

Molecular Properties

Compound Name1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
PubChem CID116618456
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name1-(1-benzothiophen-3-ylmethyl)pyridin-2-one
SMILESO=c1ccccn1Cc1csc2ccccc12
InChIInChI=1S/C14H11NOS/c16-14-7-3-4-8-15(14)9-11-10-17-13-6-2-1-5-12(11)13/h1-8,10H,9H2
InChIKeyQMBPIOZTIZRZSN-UHFFFAOYSA-N
XLogP3.11
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)pyrrole-2-carboxylic acid
CID 79114183
1-(1-benzothiophen-3-ylmethyl)-5-bromopyrimidine-2,4-dione
CID 63779093
1-[1-(1-benzothiophen-3-ylmethyl)pyrrol-2-yl]ethanamine
CID 79102220
1-(1-benzothiophen-3-ylmethyl)-5-bromo-3-methylpyridin-2-one
CID 83133050
1-(1-benzothiophen-3-ylmethyl)piperidine chloride
CID 53347465
4-(1-benzothiophen-3-ylmethyl)morpholine-3,5-dione
CID 2732786
3-(1-benzothiophen-3-ylmethyl)-5-bromo-6-methylpyrimidin-4-one
CID 66308556
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-(1-benzothiophen-3-ylmethyl)-3-methylpiperidin-4-one
CID 114500240
1-(1-benzothiophen-3-ylmethyl)pyrrole-3-carboxylic acid
CID 79103440
2-[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]ethanol
CID 60705027
methyl 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]thiophene-2-carboxylate
CID 141390966

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one?
The IUPAC name of 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one (CID 116618456) is 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one.
What is the SMILES notation for 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one?
The canonical SMILES for 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one is O=c1ccccn1Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one?
The InChIKey is QMBPIOZTIZRZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-14-7-3-4-8-15(14)9-11-10-17-13-6-2-1-5-12(11)13/h1-8,10H,9H2.
What are the key properties of 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one?
1-(1-benzothiophen-3-ylmethyl)pyridin-2-one has a molecular weight of 241.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-ylmethyl)pyridin-2-one is sourced from PubChem (CID 116618456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).