1-thiophen-2-ylcyclobutane-1-carboxylic acid

C9H10O2S — CID 23294887

IUPAC1-thiophen-2-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCC1
InChIInChI=1S/C9H10O2S/c10-8(11)9(4-2-5-9)7-3-1-6-12-7/h1,3,6H,2,4-5H2,(H,10,11)
InChIKeyZSEXSJBRGWJIBW-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.25
Rot. Bonds2

About 1-thiophen-2-ylcyclobutane-1-carboxylic acid

1-thiophen-2-ylcyclobutane-1-carboxylic acid (PubChem CID 23294887) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylcyclobutane-1-carboxylic acid
PubChem CID23294887
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-thiophen-2-ylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CCC1
InChIInChI=1S/C9H10O2S/c10-8(11)9(4-2-5-9)7-3-1-6-12-7/h1,3,6H,2,4-5H2,(H,10,11)
InChIKeyZSEXSJBRGWJIBW-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclobutane-1-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylcyclobutane-1-carboxylic acid (CID 23294887) is 1-thiophen-2-ylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylcyclobutane-1-carboxylic acid is O=C(O)C1(c2cccs2)CCC1.
What is the InChIKey of 1-thiophen-2-ylcyclobutane-1-carboxylic acid?
The InChIKey is ZSEXSJBRGWJIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-8(11)9(4-2-5-9)7-3-1-6-12-7/h1,3,6H,2,4-5H2,(H,10,11).
What are the key properties of 1-thiophen-2-ylcyclobutane-1-carboxylic acid?
1-thiophen-2-ylcyclobutane-1-carboxylic acid has a molecular weight of 182.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 23294887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).