3-(1-benzothiophen-2-yl)cyclobutan-1-one

C12H10OS — CID 114911359

IUPAC3-(1-benzothiophen-2-yl)cyclobutan-1-one
SMILESO=C1CC(c2cc3ccccc3s2)C1
InChIInChI=1S/C12H10OS/c13-10-5-9(6-10)12-7-8-3-1-2-4-11(8)14-12/h1-4,7,9H,5-6H2
InChIKeyJMZWOTXAKKJINH-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.35
Rot. Bonds1

About 3-(1-benzothiophen-2-yl)cyclobutan-1-one

3-(1-benzothiophen-2-yl)cyclobutan-1-one (PubChem CID 114911359) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)cyclobutan-1-one
PubChem CID114911359
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name3-(1-benzothiophen-2-yl)cyclobutan-1-one
SMILESO=C1CC(c2cc3ccccc3s2)C1
InChIInChI=1S/C12H10OS/c13-10-5-9(6-10)12-7-8-3-1-2-4-11(8)14-12/h1-4,7,9H,5-6H2
InChIKeyJMZWOTXAKKJINH-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(2,2-difluorocyclopropyl)-1-benzothiophene
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2-(2-fluorocyclopropyl)-1-benzothiophene
CID 162416065
2-(1-benzothiophen-2-yl)-1,3-benzodioxin-4-one
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3-(1-benzothiophen-2-yl)-3H-2-benzofuran-1-one
CID 12758158
4-(1-benzothiophen-2-yl)-3-thiophen-3-ylazetidin-2-one
CID 170876449
3-cyclohexylisothiochromen-1-one
CID 14814144
tert-butyl 2-(1-benzothiophen-2-yl)-5-oxopyrrolidine-1-carboxylate
CID 58817483
2,3-bis(1-benzothiophen-2-yl)cycloprop-2-en-1-one
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3-(1-benzothiophen-2-yl)-N,2,2-trimethylcyclobutan-1-amine
CID 114911379

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)cyclobutan-1-one?
The IUPAC name of 3-(1-benzothiophen-2-yl)cyclobutan-1-one (CID 114911359) is 3-(1-benzothiophen-2-yl)cyclobutan-1-one.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)cyclobutan-1-one?
The canonical SMILES for 3-(1-benzothiophen-2-yl)cyclobutan-1-one is O=C1CC(c2cc3ccccc3s2)C1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)cyclobutan-1-one?
The InChIKey is JMZWOTXAKKJINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-10-5-9(6-10)12-7-8-3-1-2-4-11(8)14-12/h1-4,7,9H,5-6H2.
What are the key properties of 3-(1-benzothiophen-2-yl)cyclobutan-1-one?
3-(1-benzothiophen-2-yl)cyclobutan-1-one has a molecular weight of 202.28 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)cyclobutan-1-one is sourced from PubChem (CID 114911359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).