(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid

C8H11BrN2O2 — CID 131970548

IUPAC(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid
SMILESC=C/C(=C\C=C(/Br)CNN)C(=O)O
InChIInChI=1S/C8H11BrN2O2/c1-2-6(8(12)13)3-4-7(9)5-11-10/h2-4,11H,1,5,10H2,(H,12,13)/b6-3+,7-4-
InChIKeyLGQPQHVGFWZIDP-JOVCIAKGSA-N
MW247.09 g/mol
LogP0.93
Rot. Bonds5

About (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid

(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid (PubChem CID 131970548) has the molecular formula C8H11BrN2O2 and a molecular weight of 247.09 g/mol. Its IUPAC name is (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid
PubChem CID131970548
Molecular FormulaC8H11BrN2O2
Molecular Weight247.09 g/mol
Exact Mass246.00
IUPAC Name(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid
SMILESC=C/C(=C\C=C(/Br)CNN)C(=O)O
InChIInChI=1S/C8H11BrN2O2/c1-2-6(8(12)13)3-4-7(9)5-11-10/h2-4,11H,1,5,10H2,(H,12,13)/b6-3+,7-4-
InChIKeyLGQPQHVGFWZIDP-JOVCIAKGSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.09
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid (CID 131970548) is (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid is C=C/C(=C\C=C(/Br)CNN)C(=O)O.
What is the InChIKey of (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid?
The InChIKey is LGQPQHVGFWZIDP-JOVCIAKGSA-N. The full InChI is InChI=1S/C8H11BrN2O2/c1-2-6(8(12)13)3-4-7(9)5-11-10/h2-4,11H,1,5,10H2,(H,12,13)/b6-3+,7-4-.
What are the key properties of (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid?
(2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid has a molecular weight of 247.09 g/mol, XLogP of 0.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-bromo-2-ethenyl-6-hydrazinylhexa-2,4-dienoic acid is sourced from PubChem (CID 131970548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).