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

C9H10O2S — CID 83482602

IUPAC2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-6-5-9(6,8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyGRFWHJWJLGGMAR-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.11
Rot. Bonds2

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

2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid (PubChem CID 83482602) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid
PubChem CID83482602
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Name2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid
SMILESCC1CC1(C(=O)O)c1cccs1
InChIInChI=1S/C9H10O2S/c1-6-5-9(6,8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChIKeyGRFWHJWJLGGMAR-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid (CID 83482602) is 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid is CC1CC1(C(=O)O)c1cccs1.
What is the InChIKey of 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is GRFWHJWJLGGMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2S/c1-6-5-9(6,8(10)11)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11).
What are the key properties of 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid?
2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 182.24 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-thiophen-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 83482602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).