(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate

C6H4O5-2 — CID 54750829

IUPAC(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate
SMILESC=C(/C=C(/[O-])C(=O)O)C(=O)[O-]
InChIInChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h2,7H,1H2,(H,8,9)(H,10,11)/p-2/b4-2+
InChIKeyIPWNMCXZUUQQTP-DUXPYHPUSA-L
MW156.09 g/mol
LogP-2.38
Rot. Bonds3

About (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate

(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate (PubChem CID 54750829) has the molecular formula C6H4O5-2 and a molecular weight of 156.09 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate
PubChem CID54750829
Molecular FormulaC6H4O5-2
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Name(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate
SMILESC=C(/C=C(/[O-])C(=O)O)C(=O)[O-]
InChIInChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h2,7H,1H2,(H,8,9)(H,10,11)/p-2/b4-2+
InChIKeyIPWNMCXZUUQQTP-DUXPYHPUSA-L
XLogP-2.38
TPSA100.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate?
The IUPAC name of (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate (CID 54750829) is (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate.
What is the SMILES notation for (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate?
The canonical SMILES for (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate is C=C(/C=C(/[O-])C(=O)O)C(=O)[O-].
What is the InChIKey of (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate?
The InChIKey is IPWNMCXZUUQQTP-DUXPYHPUSA-L. The full InChI is InChI=1S/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h2,7H,1H2,(H,8,9)(H,10,11)/p-2/b4-2+.
What are the key properties of (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate?
(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate has a molecular weight of 156.09 g/mol, XLogP of -2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate is sourced from PubChem (CID 54750829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).