(E)-4-oxopent-2-enedioic acid

C5H4O5 — CID 6443759

IUPAC(E)-4-oxopent-2-enedioic acid
SMILESO=C(O)/C=C/C(=O)C(=O)O
InChIInChI=1S/C5H4O5/c6-3(5(9)10)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10)/b2-1+
InChIKeyKRSRJVGQNCNEFU-OWOJBTEDSA-N
MW144.08 g/mol
LogP-0.72
Rot. Bonds3

About (E)-4-oxopent-2-enedioic acid

(E)-4-oxopent-2-enedioic acid (PubChem CID 6443759) has the molecular formula C5H4O5 and a molecular weight of 144.08 g/mol. Its IUPAC name is (E)-4-oxopent-2-enedioic acid.

Molecular Properties

Compound Name(E)-4-oxopent-2-enedioic acid
PubChem CID6443759
Molecular FormulaC5H4O5
Molecular Weight144.08 g/mol
Exact Mass144.01
IUPAC Name(E)-4-oxopent-2-enedioic acid
SMILESO=C(O)/C=C/C(=O)C(=O)O
InChIInChI=1S/C5H4O5/c6-3(5(9)10)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10)/b2-1+
InChIKeyKRSRJVGQNCNEFU-OWOJBTEDSA-N
XLogP-0.72
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-oxopent-2-enedioic acid?
The IUPAC name of (E)-4-oxopent-2-enedioic acid (CID 6443759) is (E)-4-oxopent-2-enedioic acid.
What is the SMILES notation for (E)-4-oxopent-2-enedioic acid?
The canonical SMILES for (E)-4-oxopent-2-enedioic acid is O=C(O)/C=C/C(=O)C(=O)O.
What is the InChIKey of (E)-4-oxopent-2-enedioic acid?
The InChIKey is KRSRJVGQNCNEFU-OWOJBTEDSA-N. The full InChI is InChI=1S/C5H4O5/c6-3(5(9)10)1-2-4(7)8/h1-2H,(H,7,8)(H,9,10)/b2-1+.
What are the key properties of (E)-4-oxopent-2-enedioic acid?
(E)-4-oxopent-2-enedioic acid has a molecular weight of 144.08 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-oxopent-2-enedioic acid is sourced from PubChem (CID 6443759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).