2-(2-prop-2-enylcyclopenten-1-yl)acetic acid

C10H14O2 — CID 14022103

IUPAC2-(2-prop-2-enylcyclopenten-1-yl)acetic acid
SMILESC=CCC1=C(CC(=O)O)CCC1
InChIInChI=1S/C10H14O2/c1-2-4-8-5-3-6-9(8)7-10(11)12/h2H,1,3-7H2,(H,11,12)
InChIKeyWMLJSUZVKQYDFD-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.52
Rot. Bonds4

About 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid

2-(2-prop-2-enylcyclopenten-1-yl)acetic acid (PubChem CID 14022103) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2-prop-2-enylcyclopenten-1-yl)acetic acid
PubChem CID14022103
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-prop-2-enylcyclopenten-1-yl)acetic acid
SMILESC=CCC1=C(CC(=O)O)CCC1
InChIInChI=1S/C10H14O2/c1-2-4-8-5-3-6-9(8)7-10(11)12/h2H,1,3-7H2,(H,11,12)
InChIKeyWMLJSUZVKQYDFD-UHFFFAOYSA-N
XLogP2.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.52
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 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid?
The IUPAC name of 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid (CID 14022103) is 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid.
What is the SMILES notation for 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid?
The canonical SMILES for 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid is C=CCC1=C(CC(=O)O)CCC1.
What is the InChIKey of 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid?
The InChIKey is WMLJSUZVKQYDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-4-8-5-3-6-9(8)7-10(11)12/h2H,1,3-7H2,(H,11,12).
What are the key properties of 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid?
2-(2-prop-2-enylcyclopenten-1-yl)acetic acid has a molecular weight of 166.22 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylcyclopenten-1-yl)acetic acid is sourced from PubChem (CID 14022103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).