[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate

C13H16O3 — CID 71368980

IUPAC[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate
SMILESCC(=O)OC1=C(C(=O)C2C=CCC2)CCC1
InChIInChI=1S/C13H16O3/c1-9(14)16-12-8-4-7-11(12)13(15)10-5-2-3-6-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyYGSTZLLYCFVSQA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.52
Rot. Bonds3

About [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate

[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate (PubChem CID 71368980) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate.

Molecular Properties

Compound Name[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate
PubChem CID71368980
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate
SMILESCC(=O)OC1=C(C(=O)C2C=CCC2)CCC1
InChIInChI=1S/C13H16O3/c1-9(14)16-12-8-4-7-11(12)13(15)10-5-2-3-6-10/h2,5,10H,3-4,6-8H2,1H3
InChIKeyYGSTZLLYCFVSQA-UHFFFAOYSA-N
XLogP2.52
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate?
The IUPAC name of [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate (CID 71368980) is [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate.
What is the SMILES notation for [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate?
The canonical SMILES for [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate is CC(=O)OC1=C(C(=O)C2C=CCC2)CCC1.
What is the InChIKey of [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate?
The InChIKey is YGSTZLLYCFVSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-9(14)16-12-8-4-7-11(12)13(15)10-5-2-3-6-10/h2,5,10H,3-4,6-8H2,1H3.
What are the key properties of [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate?
[2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate has a molecular weight of 220.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopent-2-ene-1-carbonyl)cyclopenten-1-yl] acetate is sourced from PubChem (CID 71368980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).