(E)-2-hydroxy-4-methylidenepent-2-enedioic acid

C6H6O5 — CID 45479635

IUPAC(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
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)/b4-2+
InChIKeyIPWNMCXZUUQQTP-DUXPYHPUSA-N
MW158.11 g/mol
LogP0.15
Rot. Bonds3

About (E)-2-hydroxy-4-methylidenepent-2-enedioic acid

(E)-2-hydroxy-4-methylidenepent-2-enedioic acid (PubChem CID 45479635) has the molecular formula C6H6O5 and a molecular weight of 158.11 g/mol. Its IUPAC name is (E)-2-hydroxy-4-methylidenepent-2-enedioic acid.

Molecular Properties

Compound Name(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
PubChem CID45479635
Molecular FormulaC6H6O5
Molecular Weight158.11 g/mol
Exact Mass158.02
IUPAC Name(E)-2-hydroxy-4-methylidenepent-2-enedioic acid
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)/b4-2+
InChIKeyIPWNMCXZUUQQTP-DUXPYHPUSA-N
XLogP0.15
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

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CID 145123448
azane;2-methylidenebut-3-enoic acid
CID 88748987
(3E)-4-chloro-6-methyl-2-methylidenehepta-3,5-dienoic acid
CID 166818002
azane;2-hydroxyprop-2-enoic acid
CID 158386305
benzene;2-methanethioylprop-2-enoic acid
CID 118321463
2-hydroxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 87459377
(3Z)-5-methyl-2-methylidenehexa-3,5-dienoic acid
CID 142042516
(E)-5-hydroxy-2-methylidene-4-oxido-5-oxopent-3-enoate
CID 54750829
2-methylidenehexa-3,5-dienoic acid;hydrate
CID 87513549
2-methylidenebut-3-enoic acid;prop-2-enenitrile
CID 141291024
(Z)-2-hydroxy-3-sulfanylprop-2-enoic acid
CID 55299764

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-4-methylidenepent-2-enedioic acid?
The IUPAC name of (E)-2-hydroxy-4-methylidenepent-2-enedioic acid (CID 45479635) is (E)-2-hydroxy-4-methylidenepent-2-enedioic acid.
What is the SMILES notation for (E)-2-hydroxy-4-methylidenepent-2-enedioic acid?
The canonical SMILES for (E)-2-hydroxy-4-methylidenepent-2-enedioic acid is C=C(/C=C(/O)C(=O)O)C(=O)O.
What is the InChIKey of (E)-2-hydroxy-4-methylidenepent-2-enedioic acid?
The InChIKey is IPWNMCXZUUQQTP-DUXPYHPUSA-N. 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)/b4-2+.
What are the key properties of (E)-2-hydroxy-4-methylidenepent-2-enedioic acid?
(E)-2-hydroxy-4-methylidenepent-2-enedioic acid has a molecular weight of 158.11 g/mol, XLogP of 0.15, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-4-methylidenepent-2-enedioic acid is sourced from PubChem (CID 45479635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).