2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid

C11H10Br2O3S — CID 114392037

IUPAC2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)c1scc(Br)c1Br
InChIInChI=1S/C11H10Br2O3S/c12-7-4-17-10(8(7)13)9(14)5-2-1-3-6(5)11(15)16/h4-6H,1-3H2,(H,15,16)
InChIKeyIBMBQHUDQNYTNP-UHFFFAOYSA-N
MW382.07 g/mol
LogP3.96
Rot. Bonds3

About 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid

2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 114392037) has the molecular formula C11H10Br2O3S and a molecular weight of 382.07 g/mol. Its IUPAC name is 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID114392037
Molecular FormulaC11H10Br2O3S
Molecular Weight382.07 g/mol
Exact Mass379.87
IUPAC Name2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1C(=O)c1scc(Br)c1Br
InChIInChI=1S/C11H10Br2O3S/c12-7-4-17-10(8(7)13)9(14)5-2-1-3-6(5)11(15)16/h4-6H,1-3H2,(H,15,16)
InChIKeyIBMBQHUDQNYTNP-UHFFFAOYSA-N
XLogP3.96
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.07
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclooctyl-(3,4-dibromothiophen-2-yl)methanone
CID 79602537
(3,4-dibromothiophen-2-yl)-(2-methyloxolan-3-yl)methanone
CID 79759375
(3,4-dibromothiophen-2-yl)-(oxolan-2-yl)methanone
CID 79602229
(3,4-dibromothiophen-2-yl)-(5-methyloxolan-2-yl)methanone
CID 81330613
3,4-dibromothiophene-2-carboxylic acid
CID 625409
2-[(4-bromothiophen-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978822
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone
CID 107187237
trans-(1R,2R)-cyclohexane-1,2-dicarboxylic acid;hydrochloride
CID 70535628
2-(2,4,5-trifluorobenzoyl)cyclopentane-1-carboxylic acid
CID 103301548
2-[(4-bromo-3,5-dimethylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107571596
cis-(1S,2R)-2-[(3-bromothiophene-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 97161410

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid (CID 114392037) is 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1C(=O)c1scc(Br)c1Br.
What is the InChIKey of 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is IBMBQHUDQNYTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2O3S/c12-7-4-17-10(8(7)13)9(14)5-2-1-3-6(5)11(15)16/h4-6H,1-3H2,(H,15,16).
What are the key properties of 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid?
2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 382.07 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dibromothiophene-2-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114392037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).