[(1R)-4-oxocyclopent-2-en-1-yl] acetate

C7H7O3+ — CID 135044274

IUPAC[(1R)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)[CH+]1
InChIInChI=1S/C7H7O3/c1-5(8)10-7-3-2-6(9)4-7/h2-4,7H,1H3/q+1/t7-/m0/s1
InChIKeyNEUMNNFNDHQDKC-ZETCQYMHSA-N
MW139.13 g/mol
LogP0.26
Rot. Bonds1

About [(1R)-4-oxocyclopent-2-en-1-yl] acetate

[(1R)-4-oxocyclopent-2-en-1-yl] acetate (PubChem CID 135044274) has the molecular formula C7H7O3+ and a molecular weight of 139.13 g/mol. Its IUPAC name is [(1R)-4-oxocyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1R)-4-oxocyclopent-2-en-1-yl] acetate
PubChem CID135044274
Molecular FormulaC7H7O3+
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name[(1R)-4-oxocyclopent-2-en-1-yl] acetate
SMILESCC(=O)O[C@H]1C=CC(=O)[CH+]1
InChIInChI=1S/C7H7O3/c1-5(8)10-7-3-2-6(9)4-7/h2-4,7H,1H3/q+1/t7-/m0/s1
InChIKeyNEUMNNFNDHQDKC-ZETCQYMHSA-N
XLogP0.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-4-oxocyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1R)-4-oxocyclopent-2-en-1-yl] acetate (CID 135044274) is [(1R)-4-oxocyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1R)-4-oxocyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1R)-4-oxocyclopent-2-en-1-yl] acetate is CC(=O)O[C@H]1C=CC(=O)[CH+]1.
What is the InChIKey of [(1R)-4-oxocyclopent-2-en-1-yl] acetate?
The InChIKey is NEUMNNFNDHQDKC-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H7O3/c1-5(8)10-7-3-2-6(9)4-7/h2-4,7H,1H3/q+1/t7-/m0/s1.
What are the key properties of [(1R)-4-oxocyclopent-2-en-1-yl] acetate?
[(1R)-4-oxocyclopent-2-en-1-yl] acetate has a molecular weight of 139.13 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-4-oxocyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 135044274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).