1-thiophen-2-ylcyclopentane-1-carboxylic acid

C10H12O2S — CID 23294886

IUPAC1-thiophen-2-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCCC1
InChIInChI=1S/C10H12O2S/c11-9(12)10(5-1-2-6-10)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,11,12)
InChIKeyCZCLTIDPEQAYOD-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.64
Rot. Bonds2

About 1-thiophen-2-ylcyclopentane-1-carboxylic acid

1-thiophen-2-ylcyclopentane-1-carboxylic acid (PubChem CID 23294886) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylcyclopentane-1-carboxylic acid
PubChem CID23294886
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name1-thiophen-2-ylcyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCCC1
InChIInChI=1S/C10H12O2S/c11-9(12)10(5-1-2-6-10)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,11,12)
InChIKeyCZCLTIDPEQAYOD-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylcyclopentane-1-carboxylic acid (CID 23294886) is 1-thiophen-2-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylcyclopentane-1-carboxylic acid is O=C(O)C1(c2cccs2)CCCC1.
What is the InChIKey of 1-thiophen-2-ylcyclopentane-1-carboxylic acid?
The InChIKey is CZCLTIDPEQAYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-9(12)10(5-1-2-6-10)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2,(H,11,12).
What are the key properties of 1-thiophen-2-ylcyclopentane-1-carboxylic acid?
1-thiophen-2-ylcyclopentane-1-carboxylic acid has a molecular weight of 196.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 23294886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).