1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one

C12H15BrOS — CID 61103392

IUPAC1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrOS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyXUCWPHOJPVFDRC-UHFFFAOYSA-N
MW287.22 g/mol
LogP4.66
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one

1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one (PubChem CID 61103392) has the molecular formula C12H15BrOS and a molecular weight of 287.22 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
PubChem CID61103392
Molecular FormulaC12H15BrOS
Molecular Weight287.22 g/mol
Exact Mass286.00
IUPAC Name1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one
SMILESO=C(CCC1CCCC1)c1ccc(Br)s1
InChIInChI=1S/C12H15BrOS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyXUCWPHOJPVFDRC-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43161016
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CID 64637362
1-(5-bromothiophen-2-yl)-2-[cyclohexylmethyl(methyl)amino]ethanone
CID 61446500
1-(5-bromothiophen-2-yl)-2-[cyclobutylmethyl(methyl)amino]ethanone
CID 62860457
1-(5-bromothiophen-2-yl)-3-hydroxypropan-1-one
CID 82291001
5-bromo-N-(cyclobutylmethyl)thiophene-2-carboxamide
CID 33372780
3-cyclopropyl-1-(5-ethylthiophen-2-yl)propan-1-one
CID 114978214
1-(5-bromothiophen-2-yl)-4-hydroxybutan-1-one
CID 82119052
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
1,3-bis(5-bromothiophen-2-yl)propan-1-one
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5-bromothiophene-2-carboxylic acid;tricyclohexylstannane
CID 175022790

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one (CID 61103392) is 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one is O=C(CCC1CCCC1)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one?
The InChIKey is XUCWPHOJPVFDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrOS/c13-12-8-7-11(15-12)10(14)6-5-9-3-1-2-4-9/h7-9H,1-6H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one?
1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one has a molecular weight of 287.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-cyclopentylpropan-1-one is sourced from PubChem (CID 61103392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).