3-cyclopent-2-en-1-ylpropanoic acid

C8H12O2 — CID 15650101

IUPAC3-cyclopent-2-en-1-ylpropanoic acid
SMILESO=C(O)CCC1C=CCC1
InChIInChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10)
InChIKeyZKEQEKIUJNGBRM-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.82
Rot. Bonds3

About 3-cyclopent-2-en-1-ylpropanoic acid

3-cyclopent-2-en-1-ylpropanoic acid (PubChem CID 15650101) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 3-cyclopent-2-en-1-ylpropanoic acid.

Molecular Properties

Compound Name3-cyclopent-2-en-1-ylpropanoic acid
PubChem CID15650101
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name3-cyclopent-2-en-1-ylpropanoic acid
SMILESO=C(O)CCC1C=CCC1
InChIInChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10)
InChIKeyZKEQEKIUJNGBRM-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopent-2-en-1-ylpropanoic acid?
The IUPAC name of 3-cyclopent-2-en-1-ylpropanoic acid (CID 15650101) is 3-cyclopent-2-en-1-ylpropanoic acid.
What is the SMILES notation for 3-cyclopent-2-en-1-ylpropanoic acid?
The canonical SMILES for 3-cyclopent-2-en-1-ylpropanoic acid is O=C(O)CCC1C=CCC1.
What is the InChIKey of 3-cyclopent-2-en-1-ylpropanoic acid?
The InChIKey is ZKEQEKIUJNGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-8(10)6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2,(H,9,10).
What are the key properties of 3-cyclopent-2-en-1-ylpropanoic acid?
3-cyclopent-2-en-1-ylpropanoic acid has a molecular weight of 140.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopent-2-en-1-ylpropanoic acid is sourced from PubChem (CID 15650101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).