5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one

C9H10O4 — CID 174740892

IUPAC5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one
SMILESCCOC1(C=C=O)C(=O)C=CC1O
InChIInChI=1S/C9H10O4/c1-2-13-9(5-6-10)7(11)3-4-8(9)12/h3-5,7,11H,2H2,1H3
InChIKeyRZEFGVGZQZSWAP-UHFFFAOYSA-N
MW182.17 g/mol
LogP-0.35
Rot. Bonds3

About 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one

5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one (PubChem CID 174740892) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one
PubChem CID174740892
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one
SMILESCCOC1(C=C=O)C(=O)C=CC1O
InChIInChI=1S/C9H10O4/c1-2-13-9(5-6-10)7(11)3-4-8(9)12/h3-5,7,11H,2H2,1H3
InChIKeyRZEFGVGZQZSWAP-UHFFFAOYSA-N
XLogP-0.35
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one?
The IUPAC name of 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one (CID 174740892) is 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one?
The canonical SMILES for 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one is CCOC1(C=C=O)C(=O)C=CC1O.
What is the InChIKey of 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one?
The InChIKey is RZEFGVGZQZSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c1-2-13-9(5-6-10)7(11)3-4-8(9)12/h3-5,7,11H,2H2,1H3.
What are the key properties of 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one?
5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one has a molecular weight of 182.17 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4-hydroxy-5-(2-oxoethenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 174740892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).