1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone

C12H16OS — CID 64982251

IUPAC1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCC2)s1
InChIInChI=1S/C12H16OS/c1-2-10-6-7-11(14-10)8-12(13)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeySJEMWQVYDNNXBQ-UHFFFAOYSA-N
MW208.33 g/mol
LogP3.22
Rot. Bonds4

About 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone

1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone (PubChem CID 64982251) has the molecular formula C12H16OS and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
PubChem CID64982251
Molecular FormulaC12H16OS
Molecular Weight208.33 g/mol
Exact Mass208.09
IUPAC Name1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(CC(=O)C2CCC2)s1
InChIInChI=1S/C12H16OS/c1-2-10-6-7-11(14-10)8-12(13)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3
InChIKeySJEMWQVYDNNXBQ-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(5-ethylthiophen-2-yl)ethanone
CID 107003842
2-(5-ethylthiophen-2-yl)-1-(3-methyloxolan-2-yl)ethanone
CID 114967727
1-(1,4-dithian-2-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 79973600
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
1-(3,4-dihydro-2H-chromen-4-yl)-2-(5-ethylthiophen-2-yl)ethanone
CID 65407954
1-(4-tert-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanone
CID 65402113
2,5-diethylthiophene
CID 521294
1-(5-ethylthiophen-2-yl)-3-piperidin-3-ylpropan-2-one
CID 116564334
1-(5-ethylthiophen-2-yl)-3-(oxolan-3-yl)propan-2-one
CID 103986260
N-[(5-ethylthiophen-2-yl)methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014093
1-(5-ethylthiophen-2-yl)-3-piperidin-4-ylpropan-2-one
CID 116560034
2-(5-ethylthiophen-2-yl)-1-(1-methylcyclohexyl)ethanone
CID 106829547

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone (CID 64982251) is 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(CC(=O)C2CCC2)s1.
What is the InChIKey of 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is SJEMWQVYDNNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16OS/c1-2-10-6-7-11(14-10)8-12(13)9-4-3-5-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone?
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 208.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 64982251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).