5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid

C13H14O2S — CID 118396531

IUPAC5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid
SMILESCC1CCC=C1/C=C/c1ccc(C(=O)O)s1
InChIInChI=1S/C13H14O2S/c1-9-3-2-4-10(9)5-6-11-7-8-12(16-11)13(14)15/h4-9H,2-3H2,1H3,(H,14,15)/b6-5+
InChIKeyZVZJYTRZJOVPJS-AATRIKPKSA-N
MW234.32 g/mol
LogP3.82
Rot. Bonds3

About 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid

5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid (PubChem CID 118396531) has the molecular formula C13H14O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid
PubChem CID118396531
Molecular FormulaC13H14O2S
Molecular Weight234.32 g/mol
Exact Mass234.07
IUPAC Name5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid
SMILESCC1CCC=C1/C=C/c1ccc(C(=O)O)s1
InChIInChI=1S/C13H14O2S/c1-9-3-2-4-10(9)5-6-11-7-8-12(16-11)13(14)15/h4-9H,2-3H2,1H3,(H,14,15)/b6-5+
InChIKeyZVZJYTRZJOVPJS-AATRIKPKSA-N
XLogP3.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid (CID 118396531) is 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid is CC1CCC=C1/C=C/c1ccc(C(=O)O)s1.
What is the InChIKey of 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid?
The InChIKey is ZVZJYTRZJOVPJS-AATRIKPKSA-N. The full InChI is InChI=1S/C13H14O2S/c1-9-3-2-4-10(9)5-6-11-7-8-12(16-11)13(14)15/h4-9H,2-3H2,1H3,(H,14,15)/b6-5+.
What are the key properties of 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid?
5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid has a molecular weight of 234.32 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(5-methylcyclopenten-1-yl)ethenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 118396531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).