1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one

C15H16OS — CID 174424809

IUPAC1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1(c2cc3ccccc3s2)CCC1
InChIInChI=1S/C15H16OS/c1-2-13(16)15(8-5-9-15)14-10-11-6-3-4-7-12(11)17-14/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyZORDISMBAIZZNR-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.30
Rot. Bonds3

About 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one

1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one (PubChem CID 174424809) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
PubChem CID174424809
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one
SMILESCCC(=O)C1(c2cc3ccccc3s2)CCC1
InChIInChI=1S/C15H16OS/c1-2-13(16)15(8-5-9-15)14-10-11-6-3-4-7-12(11)17-14/h3-4,6-7,10H,2,5,8-9H2,1H3
InChIKeyZORDISMBAIZZNR-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-benzothiophen-2-yl)cyclohexyl]propanamide
CID 10266083
1-(1-naphthalen-2-ylcyclobutyl)propan-1-one
CID 174403861
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-(1-benzothiophen-2-yl)-4-methylcyclohexan-1-ol
CID 10105986
1-(1-benzothiophen-2-yl)propan-1-one;methanamine
CID 171632714
2,2-bis(1-benzothiophen-2-yl)oxirane
CID 90390877
9-(1-benzothiophen-2-yl)fluoren-9-ol
CID 22117570
1-[[1-(1-benzothiophen-2-yl)cyclopropyl]methyl]pyrrole-2,5-dione
CID 71249258
2-[[1-(1-benzothiophen-2-yl)cyclopropyl]amino]-N-hydroxypyrimidine-5-carboxamide
CID 74763717
1-(1-benzothiophene-2-carbonyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83058030
4-[1-(1-benzothiophen-2-yl)cyclopropyl]-3-methylphenol
CID 141409415
(2E)-2-(1-benzothiophen-2-ylmethylidene)hexanal
CID 10824222

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one?
The IUPAC name of 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one (CID 174424809) is 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one.
What is the SMILES notation for 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one?
The canonical SMILES for 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one is CCC(=O)C1(c2cc3ccccc3s2)CCC1.
What is the InChIKey of 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one?
The InChIKey is ZORDISMBAIZZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-2-13(16)15(8-5-9-15)14-10-11-6-3-4-7-12(11)17-14/h3-4,6-7,10H,2,5,8-9H2,1H3.
What are the key properties of 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one?
1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one has a molecular weight of 244.36 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzothiophen-2-yl)cyclobutyl]propan-1-one is sourced from PubChem (CID 174424809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).