(2-oxocyclopent-3-en-1-yl) acetate

C7H8O3 — CID 14027334

IUPAC(2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=CC1=O
InChIInChI=1S/C7H8O3/c1-5(8)10-7-4-2-3-6(7)9/h2-3,7H,4H2,1H3
InChIKeyIAQZQUFZWSAUCE-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.45
Rot. Bonds1

About (2-oxocyclopent-3-en-1-yl) acetate

(2-oxocyclopent-3-en-1-yl) acetate (PubChem CID 14027334) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2-oxocyclopent-3-en-1-yl) acetate.

Molecular Properties

Compound Name(2-oxocyclopent-3-en-1-yl) acetate
PubChem CID14027334
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name(2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=CC1=O
InChIInChI=1S/C7H8O3/c1-5(8)10-7-4-2-3-6(7)9/h2-3,7H,4H2,1H3
InChIKeyIAQZQUFZWSAUCE-UHFFFAOYSA-N
XLogP0.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxocyclopent-3-en-1-yl) acetate?
The IUPAC name of (2-oxocyclopent-3-en-1-yl) acetate (CID 14027334) is (2-oxocyclopent-3-en-1-yl) acetate.
What is the SMILES notation for (2-oxocyclopent-3-en-1-yl) acetate?
The canonical SMILES for (2-oxocyclopent-3-en-1-yl) acetate is CC(=O)OC1CC=CC1=O.
What is the InChIKey of (2-oxocyclopent-3-en-1-yl) acetate?
The InChIKey is IAQZQUFZWSAUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c1-5(8)10-7-4-2-3-6(7)9/h2-3,7H,4H2,1H3.
What are the key properties of (2-oxocyclopent-3-en-1-yl) acetate?
(2-oxocyclopent-3-en-1-yl) acetate has a molecular weight of 140.14 g/mol, XLogP of 0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxocyclopent-3-en-1-yl) acetate is sourced from PubChem (CID 14027334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).