1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one

C11H13BrOS — CID 102826568

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one
SMILESCc1sc(C(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C11H13BrOS/c1-6(8-3-4-8)11(13)10-5-9(12)7(2)14-10/h5-6,8H,3-4H2,1-2H3
InChIKeyFRFFMAAUBLUQAL-UHFFFAOYSA-N
MW273.19 g/mol
LogP4.05
Rot. Bonds3

About 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one (PubChem CID 102826568) has the molecular formula C11H13BrOS and a molecular weight of 273.19 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one
PubChem CID102826568
Molecular FormulaC11H13BrOS
Molecular Weight273.19 g/mol
Exact Mass271.99
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one
SMILESCc1sc(C(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C11H13BrOS/c1-6(8-3-4-8)11(13)10-5-9(12)7(2)14-10/h5-6,8H,3-4H2,1-2H3
InChIKeyFRFFMAAUBLUQAL-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one (CID 102826568) is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one is Cc1sc(C(=O)C(C)C2CC2)cc1Br.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one?
The InChIKey is FRFFMAAUBLUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrOS/c1-6(8-3-4-8)11(13)10-5-9(12)7(2)14-10/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one?
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one has a molecular weight of 273.19 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropylpropan-1-one is sourced from PubChem (CID 102826568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).