5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate

C7H4O6-2 — CID 25201912

IUPAC5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate
SMILESO=C([O-])C(C=C[O-])=CC(=O)C(=O)O
InChIInChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2
InChIKeyQZWBTDVXBPUISR-UHFFFAOYSA-L
MW184.10 g/mol
LogP-2.81
Rot. Bonds4

About 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate

5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate (PubChem CID 25201912) has the molecular formula C7H4O6-2 and a molecular weight of 184.10 g/mol. Its IUPAC name is 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate.

Molecular Properties

Compound Name5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate
PubChem CID25201912
Molecular FormulaC7H4O6-2
Molecular Weight184.10 g/mol
Exact Mass184.00
IUPAC Name5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate
SMILESO=C([O-])C(C=C[O-])=CC(=O)C(=O)O
InChIInChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2
InChIKeyQZWBTDVXBPUISR-UHFFFAOYSA-L
XLogP-2.81
TPSA117.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.10
LogP ≤ 5-2.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate?
The IUPAC name of 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate (CID 25201912) is 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate.
What is the SMILES notation for 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate?
The canonical SMILES for 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate is O=C([O-])C(C=C[O-])=CC(=O)C(=O)O.
What is the InChIKey of 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate?
The InChIKey is QZWBTDVXBPUISR-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,8H,(H,10,11)(H,12,13)/p-2.
What are the key properties of 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate?
5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate has a molecular weight of 184.10 g/mol, XLogP of -2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-oxidoethenyl)-4,5-dioxopent-2-enoate is sourced from PubChem (CID 25201912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).