1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone

C11H13BrOS — CID 103162515

IUPAC1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
SMILESCc1cc(Br)c(C(=O)CC2CCC2)s1
InChIInChI=1S/C11H13BrOS/c1-7-5-9(12)11(14-7)10(13)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyJLNNOGYINPWMNC-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.19
Rot. Bonds3

About 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone

1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone (PubChem CID 103162515) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone.

Molecular Properties

Compound Name1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
PubChem CID103162515
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone
SMILESCc1cc(Br)c(C(=O)CC2CCC2)s1
InChIInChI=1S/C11H13BrOS/c1-7-5-9(12)11(14-7)10(13)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3
InChIKeyJLNNOGYINPWMNC-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-methylthiophen-2-yl)-2-cyclohexylethanone
CID 65279322
1-(3-bromo-5-methylthiophen-2-yl)-3-cyclopentylpropan-1-one
CID 65279859
1-(3-bromo-5-methylthiophen-2-yl)-3-(oxan-2-yl)propan-1-one
CID 65279168
1-(4-bromo-5-methylthiophen-2-yl)-2-cycloheptylethanone
CID 102826473
1-(3-bromo-5-methylthiophen-2-yl)-3-(oxolan-2-yl)propan-1-one
CID 65279852
2-(1-adamantyl)-1-(3-bromo-5-methylthiophen-2-yl)ethanone
CID 79988666
3-bromo-N-[(1-ethylpiperidin-3-yl)methyl]-5-methylthiophene-2-carboxamide
CID 154779305
1-(2-bromo-4,5-dimethoxyphenyl)-2-cyclobutylethanone
CID 103162365
2-cyclohexyl-1-(5-methylthiophen-2-yl)ethanone
CID 43160755
5-(2-cyclohexylacetyl)-2-methylthiophene-3-carbaldehyde
CID 82382673
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
1-(2-bromo-4-methoxyphenyl)-2-cyclohexylethanone
CID 54920032

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone?
The IUPAC name of 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone (CID 103162515) is 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone.
What is the SMILES notation for 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone?
The canonical SMILES for 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone is Cc1cc(Br)c(C(=O)CC2CCC2)s1.
What is the InChIKey of 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone?
The InChIKey is JLNNOGYINPWMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-7-5-9(12)11(14-7)10(13)6-8-3-2-4-8/h5,8H,2-4,6H2,1H3.
What are the key properties of 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone?
1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone has a molecular weight of 273.19 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylthiophen-2-yl)-2-cyclobutylethanone is sourced from PubChem (CID 103162515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).