(E,4E)-4-hydroxyiminopent-2-enoic acid

C5H7NO3 — CID 119096285

IUPAC(E,4E)-4-hydroxyiminopent-2-enoic acid
SMILESCC(/C=C/C(=O)O)=N\O
InChIInChI=1S/C5H7NO3/c1-4(6-9)2-3-5(7)8/h2-3,9H,1H3,(H,7,8)/b3-2+,6-4+
InChIKeyCWSSJFCWNQZMMG-WJPDYIDTSA-N
MW129.11 g/mol
LogP0.48
Rot. Bonds2

About (E,4E)-4-hydroxyiminopent-2-enoic acid

(E,4E)-4-hydroxyiminopent-2-enoic acid (PubChem CID 119096285) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (E,4E)-4-hydroxyiminopent-2-enoic acid.

Molecular Properties

Compound Name(E,4E)-4-hydroxyiminopent-2-enoic acid
PubChem CID119096285
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(E,4E)-4-hydroxyiminopent-2-enoic acid
SMILESCC(/C=C/C(=O)O)=N\O
InChIInChI=1S/C5H7NO3/c1-4(6-9)2-3-5(7)8/h2-3,9H,1H3,(H,7,8)/b3-2+,6-4+
InChIKeyCWSSJFCWNQZMMG-WJPDYIDTSA-N
XLogP0.48
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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(Z)-4-oxopent-2-enoic acid;(E)-4-oxopent-2-enoic acid
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(E)-but-2-enedioic acid;bis(2-methylprop-1-ene)
CID 22055121
acetic acid;but-2-enedioic acid;formic acid
CID 160941999
(Z)-but-2-enedioic acid;neodymium
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(Z)-but-2-enedioic acid;silver
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CID 139263227
(E)-but-2-enedioic acid;iron
CID 5478817
CID 87073039
CID 87073039
(Z)-but-2-enedioic acid;nickel
CID 24883656
tris(but-2-enedioic acid);hydrate
CID 173409563
(Z)-but-2-enedioic acid;hydrate
CID 86620054

Frequently Asked Questions

What is the IUPAC name of (E,4E)-4-hydroxyiminopent-2-enoic acid?
The IUPAC name of (E,4E)-4-hydroxyiminopent-2-enoic acid (CID 119096285) is (E,4E)-4-hydroxyiminopent-2-enoic acid.
What is the SMILES notation for (E,4E)-4-hydroxyiminopent-2-enoic acid?
The canonical SMILES for (E,4E)-4-hydroxyiminopent-2-enoic acid is CC(/C=C/C(=O)O)=N\O.
What is the InChIKey of (E,4E)-4-hydroxyiminopent-2-enoic acid?
The InChIKey is CWSSJFCWNQZMMG-WJPDYIDTSA-N. The full InChI is InChI=1S/C5H7NO3/c1-4(6-9)2-3-5(7)8/h2-3,9H,1H3,(H,7,8)/b3-2+,6-4+.
What are the key properties of (E,4E)-4-hydroxyiminopent-2-enoic acid?
(E,4E)-4-hydroxyiminopent-2-enoic acid has a molecular weight of 129.11 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4E)-4-hydroxyiminopent-2-enoic acid is sourced from PubChem (CID 119096285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).