2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone

C11H14OS — CID 103168178

IUPAC2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
SMILESCc1sccc1C(=O)CC1CCC1
InChIInChI=1S/C11H14OS/c1-8-10(5-6-13-8)11(12)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyCWKZTPZWSFMRSH-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.43
Rot. Bonds3

About 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone

2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone (PubChem CID 103168178) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
PubChem CID103168178
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone
SMILESCc1sccc1C(=O)CC1CCC1
InChIInChI=1S/C11H14OS/c1-8-10(5-6-13-8)11(12)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3
InChIKeyCWKZTPZWSFMRSH-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-1-(2-methylphenyl)ethanone
CID 65460155
2-(1-methoxycyclobutyl)-1-(2-methylthiophen-3-yl)ethanone
CID 103558992
1-(1-benzothiophen-7-yl)-2-cycloheptylethanone
CID 115791021
bis(2-methylthiophen-3-yl)methanone
CID 101441488
3-methoxy-1-(2-methylthiophen-3-yl)propan-1-one
CID 102830655
1-(3-chlorothiophen-2-yl)-2-cycloheptylethanone
CID 114457393
3-(cyclobutylmethyl)-2-methylthiophene
CID 18942959
5-amino-1-(2-methylthiophen-3-yl)pentan-1-one
CID 102839436
2-cyclobutyl-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 103162435
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
CID 82382673
1-(2-chlorophenyl)-2-cyclohexylethanone
CID 62622311

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone?
The IUPAC name of 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone (CID 103168178) is 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone.
What is the SMILES notation for 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone?
The canonical SMILES for 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone is Cc1sccc1C(=O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone?
The InChIKey is CWKZTPZWSFMRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-8-10(5-6-13-8)11(12)7-9-3-2-4-9/h5-6,9H,2-4,7H2,1H3.
What are the key properties of 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone?
2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone has a molecular weight of 194.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(2-methylthiophen-3-yl)ethanone is sourced from PubChem (CID 103168178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).