1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid

C9H10O2S — CID 66025291

IUPAC1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2)CC1
InChIInChI=1S/C9H10O2S/c10-8(11)9(2-3-9)5-7-1-4-12-6-7/h1,4,6H,2-3,5H2,(H,10,11)
InChIKeyWSOMDYUYAILLOU-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.16
Rot. Bonds3

About 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid

1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid (PubChem CID 66025291) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
PubChem CID66025291
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Cc2ccsc2)CC1
InChIInChI=1S/C9H10O2S/c10-8(11)9(2-3-9)5-7-1-4-12-6-7/h1,4,6H,2-3,5H2,(H,10,11)
InChIKeyWSOMDYUYAILLOU-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(thiophen-3-ylmethyl)oxolane-3-carboxylic acid
CID 62740627
1-benzylcyclopropane-1-carboxylic acid
CID 562561
(2R)-2-(thiophen-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 2761943
1-[[(2-thiophen-3-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 113309066
[1-(thiophen-3-ylmethyl)cyclopentyl]methanol
CID 66025022
4-[[(2-thiophen-3-ylacetyl)amino]methyl]oxane-4-carboxylic acid
CID 113309985
1-(thiophen-3-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 63244240
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43527993
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
[3-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 66059230
2-methyl-1-(2-thiophen-3-ylethyl)piperidine-2-carboxylic acid
CID 104598702
4-benzylpiperidine-4-carboxylic acid
CID 18365178

Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid (CID 66025291) is 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid is O=C(O)C1(Cc2ccsc2)CC1.
What is the InChIKey of 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid?
The InChIKey is WSOMDYUYAILLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c10-8(11)9(2-3-9)5-7-1-4-12-6-7/h1,4,6H,2-3,5H2,(H,10,11).
What are the key properties of 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid?
1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid has a molecular weight of 182.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-3-ylmethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66025291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).