6-diazenylcyclohexa-1,5-diene-1-carboxylic acid

C7H8N2O2 — CID 126517565

IUPAC6-diazenylcyclohexa-1,5-diene-1-carboxylic acid
SMILES[H]/N=N/C1=CCCC=C1C(=O)O
InChIInChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h3-4,8H,1-2H2,(H,10,11)/b9-8+
InChIKeyJUZCDXHNGWQYHG-CMDGGOBGSA-N
MW152.15 g/mol
LogP1.71
Rot. Bonds2

About 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid

6-diazenylcyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 126517565) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name6-diazenylcyclohexa-1,5-diene-1-carboxylic acid
PubChem CID126517565
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6-diazenylcyclohexa-1,5-diene-1-carboxylic acid
SMILES[H]/N=N/C1=CCCC=C1C(=O)O
InChIInChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h3-4,8H,1-2H2,(H,10,11)/b9-8+
InChIKeyJUZCDXHNGWQYHG-CMDGGOBGSA-N
XLogP1.71
TPSA73.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.71
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'}

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Related Compounds

6-Amino-2-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 118190062
6-Amino-3-fluorocyclohexa-1,5-diene-1-carboxylic acid
CID 139418711
(5s,6s)-6-Amino-5-hydroxy-cyclohexa-1,5-dienecarboxylic acid
CID 132279992
6-Amino-4-oxocyclohexa-1,5-diene-1-carboxylic acid
CID 18314392
6-Amino-3-oxocyclohexa-1,5-diene-1-carboxylic acid
CID 20512354
6-Aminocyclohexa-1,5-diene-1-carboxylic acid
CID 68311737
(2E,4Z)-2-(1-diazenylethenyl)hexa-2,4-dienoic acid
CID 89021611
(E)-2-(1-diazenylethenyl)pent-2-enoic acid
CID 89230666
4,6-Diaminocyclohexa-1,5-diene-1-carboxylic acid
CID 89669350
6-Amino-4-iodocyclohexa-1,5-diene-1-carboxylic acid
CID 122494507
(3E)-6-amino-3-[(2Z)-penta-2,4-dienylidene]cyclohexa-1,5-diene-1-carboxylic acid
CID 143259262
6-Aminocyclohexa-1,5-diene-1-carboxylic acid;ethane
CID 143692440

Frequently Asked Questions

What is the IUPAC name of 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid (CID 126517565) is 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid is [H]/N=N/C1=CCCC=C1C(=O)O.
What is the InChIKey of 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is JUZCDXHNGWQYHG-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h3-4,8H,1-2H2,(H,10,11)/b9-8+.
What are the key properties of 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid?
6-diazenylcyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazenylcyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 126517565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).