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

C13H12OS — CID 102578531

IUPAC3-(1-benzothiophen-2-yl)cyclopentan-1-one
SMILESO=C1CCC(c2cc3ccccc3s2)C1
InChIInChI=1S/C13H12OS/c14-11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10H,5-7H2
InChIKeyGZLYRFCNHPERCO-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.74
Rot. Bonds1

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

3-(1-benzothiophen-2-yl)cyclopentan-1-one (PubChem CID 102578531) has the molecular formula C13H12OS and a molecular weight of 216.31 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)cyclopentan-1-one
PubChem CID102578531
Molecular FormulaC13H12OS
Molecular Weight216.31 g/mol
Exact Mass216.06
IUPAC Name3-(1-benzothiophen-2-yl)cyclopentan-1-one
SMILESO=C1CCC(c2cc3ccccc3s2)C1
InChIInChI=1S/C13H12OS/c14-11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10H,5-7H2
InChIKeyGZLYRFCNHPERCO-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzothiophen-2-yl)cyclobutan-1-one
CID 114911359
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
3-(1-benzothiophen-2-yl)oxetane
CID 119082125
3-(1,3-benzothiazol-2-yl)cyclopentan-1-one
CID 164678956
4-thieno[3,2-b]pyridin-2-ylcyclohexan-1-one
CID 141200271
2-(2,2-difluorocyclopropyl)-1-benzothiophene
CID 178074860
2-(2-fluorocyclopropyl)-1-benzothiophene
CID 162416065
3-cyclohexylisothiochromen-1-one
CID 14814144
4-(1,3-benzothiazol-2-yl)cyclohexan-1-one
CID 116999899
tert-butyl 2-(1-benzothiophen-2-yl)-5-oxopyrrolidine-1-carboxylate
CID 58817483
3-(7-fluoro-1-benzofuran-2-yl)cyclopentan-1-one
CID 114733135
2-(1-benzothiophen-2-yl)-1,3-benzodioxin-4-one
CID 176765895

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)cyclopentan-1-one?
The IUPAC name of 3-(1-benzothiophen-2-yl)cyclopentan-1-one (CID 102578531) is 3-(1-benzothiophen-2-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)cyclopentan-1-one?
The canonical SMILES for 3-(1-benzothiophen-2-yl)cyclopentan-1-one is O=C1CCC(c2cc3ccccc3s2)C1.
What is the InChIKey of 3-(1-benzothiophen-2-yl)cyclopentan-1-one?
The InChIKey is GZLYRFCNHPERCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12OS/c14-11-6-5-10(7-11)13-8-9-3-1-2-4-12(9)15-13/h1-4,8,10H,5-7H2.
What are the key properties of 3-(1-benzothiophen-2-yl)cyclopentan-1-one?
3-(1-benzothiophen-2-yl)cyclopentan-1-one has a molecular weight of 216.31 g/mol, XLogP of 3.74, 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)cyclopentan-1-one is sourced from PubChem (CID 102578531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).