(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid

C8H10N2O2 — CID 89021611

IUPAC(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
SMILES[H]/N=N/C(=C)/C(=C/C=C\C)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-3-4-5-7(8(11)12)6(2)10-9/h3-5,9H,2H2,1H3,(H,11,12)/b4-3-,7-5+,10-9+
InChIKeyKDXUQCXYEXFAAS-NTUPTIFGSA-N
MW166.18 g/mol
LogP2.12
Rot. Bonds4

About (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid

(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid (PubChem CID 89021611) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
PubChem CID89021611
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
SMILES[H]/N=N/C(=C)/C(=C/C=C\C)C(=O)O
InChIInChI=1S/C8H10N2O2/c1-3-4-5-7(8(11)12)6(2)10-9/h3-5,9H,2H2,1H3,(H,11,12)/b4-3-,7-5+,10-9+
InChIKeyKDXUQCXYEXFAAS-NTUPTIFGSA-N
XLogP2.12
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid with MolForge

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Related Compounds

(E)-2-(1-diazenylethenyl)pent-2-enoic acid
CID 89230666
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid
CID 118592017
6-Diazenylcyclohexa-1,5-diene-1-carboxylic acid
CID 126517565
(2E,3E,5Z)-3-amino-2-ethylidenehepta-3,5-dienoic acid
CID 126576273
(2E,4E)-5-amino-2-ethenylhepta-2,4,6-trienoic acid
CID 132147909
(2E,4E)-5-amino-2-ethenylhexa-2,4-dienoic acid
CID 134383983
(2E,3E)-3-amino-2-ethylidenehexa-3,5-dienoic acid;ethane
CID 141797774
(2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoic acid
CID 141982708
(E,2E)-3-amino-2-prop-2-enylidenehex-3-enoic acid
CID 142046886
(2E,3E,5Z)-3-amino-2-prop-2-enylidenehepta-3,5-dienoic acid
CID 142241419
(2E)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienoic acid;ethane
CID 142241434
(2E)-2-(1-aminoethenyl)penta-2,4-dienoic acid
CID 143194095

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid (CID 89021611) is (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid is [H]/N=N/C(=C)/C(=C/C=C\C)C(=O)O.
What is the InChIKey of (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid?
The InChIKey is KDXUQCXYEXFAAS-NTUPTIFGSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-4-5-7(8(11)12)6(2)10-9/h3-5,9H,2H2,1H3,(H,11,12)/b4-3-,7-5+,10-9+.
What are the key properties of (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid?
(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid has a molecular weight of 166.18 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid is sourced from PubChem (CID 89021611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).