2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid

C11H14O2S — CID 12577607

IUPAC2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)c1ccsc1
InChIInChI=1S/C11H14O2S/c1-8-3-2-5-11(8,10(12)13)9-4-6-14-7-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyMTRWVMJWAVWRBD-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.89
Rot. Bonds2

About 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid

2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid (PubChem CID 12577607) has the molecular formula C11H14O2S and a molecular weight of 210.30 g/mol. Its IUPAC name is 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid
PubChem CID12577607
Molecular FormulaC11H14O2S
Molecular Weight210.30 g/mol
Exact Mass210.07
IUPAC Name2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid
SMILESCC1CCCC1(C(=O)O)c1ccsc1
InChIInChI=1S/C11H14O2S/c1-8-3-2-5-11(8,10(12)13)9-4-6-14-7-9/h4,6-8H,2-3,5H2,1H3,(H,12,13)
InChIKeyMTRWVMJWAVWRBD-UHFFFAOYSA-N
XLogP2.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.89
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-3-ylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid (CID 12577607) is 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid is CC1CCCC1(C(=O)O)c1ccsc1.
What is the InChIKey of 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid?
The InChIKey is MTRWVMJWAVWRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S/c1-8-3-2-5-11(8,10(12)13)9-4-6-14-7-9/h4,6-8H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid?
2-methyl-1-thiophen-3-ylcyclopentane-1-carboxylic acid has a molecular weight of 210.30 g/mol, XLogP of 2.89, 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-3-ylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 12577607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).