1-thiophen-2-ylcyclopropane-1-carboxylic acid

C8H8O2S — CID 18975706

IUPAC1-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CC1
InChIInChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyJZGVANXRGMMXGJ-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.86
Rot. Bonds2

About 1-thiophen-2-ylcyclopropane-1-carboxylic acid

1-thiophen-2-ylcyclopropane-1-carboxylic acid (PubChem CID 18975706) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-thiophen-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-thiophen-2-ylcyclopropane-1-carboxylic acid
PubChem CID18975706
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name1-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cccs2)CC1
InChIInChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10)
InChIKeyJZGVANXRGMMXGJ-UHFFFAOYSA-N
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-thiophen-2-ylcyclopropane-1-carboxylic acid (CID 18975706) is 1-thiophen-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-thiophen-2-ylcyclopropane-1-carboxylic acid is O=C(O)C1(c2cccs2)CC1.
What is the InChIKey of 1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is JZGVANXRGMMXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-7(10)8(3-4-8)6-2-1-5-11-6/h1-2,5H,3-4H2,(H,9,10).
What are the key properties of 1-thiophen-2-ylcyclopropane-1-carboxylic acid?
1-thiophen-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 168.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 18975706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).