1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid

C11H13BrO2S — CID 62739032

IUPAC1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C11H13BrO2S/c12-8-5-9(15-7-8)6-11(10(13)14)3-1-2-4-11/h5,7H,1-4,6H2,(H,13,14)
InChIKeyAHNZHWMXDSNONR-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.70
Rot. Bonds3

About 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid

1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 62739032) has the molecular formula C11H13BrO2S and a molecular weight of 289.19 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID62739032
Molecular FormulaC11H13BrO2S
Molecular Weight289.19 g/mol
Exact Mass287.98
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(Cc2cc(Br)cs2)CCCC1
InChIInChI=1S/C11H13BrO2S/c12-8-5-9(15-7-8)6-11(10(13)14)3-1-2-4-11/h5,7H,1-4,6H2,(H,13,14)
InChIKeyAHNZHWMXDSNONR-UHFFFAOYSA-N
XLogP3.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid (CID 62739032) is 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(Cc2cc(Br)cs2)CCCC1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is AHNZHWMXDSNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2S/c12-8-5-9(15-7-8)6-11(10(13)14)3-1-2-4-11/h5,7H,1-4,6H2,(H,13,14).
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.19 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62739032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).