6-diazo-2-ethenylcyclohexa-1,3-diene

C8H8N2 — CID 88729070

IUPAC6-diazo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C8H8N2/c1-2-7-4-3-5-8(6-7)10-9/h2-4,6H,1,5H2
InChIKeyRRUUOUVNXXUAEY-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.73
Rot. Bonds1

About 6-diazo-2-ethenylcyclohexa-1,3-diene

6-diazo-2-ethenylcyclohexa-1,3-diene (PubChem CID 88729070) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 6-diazo-2-ethenylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-diazo-2-ethenylcyclohexa-1,3-diene
PubChem CID88729070
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name6-diazo-2-ethenylcyclohexa-1,3-diene
SMILESC=CC1=CC(=[N+]=[N-])CC=C1
InChIInChI=1S/C8H8N2/c1-2-7-4-3-5-8(6-7)10-9/h2-4,6H,1,5H2
InChIKeyRRUUOUVNXXUAEY-UHFFFAOYSA-N
XLogP1.73
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-diazo-2-ethenylcyclohexa-1,3-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-diazo-2-ethenylcyclohexa-1,3-diene?
The IUPAC name of 6-diazo-2-ethenylcyclohexa-1,3-diene (CID 88729070) is 6-diazo-2-ethenylcyclohexa-1,3-diene.
What is the SMILES notation for 6-diazo-2-ethenylcyclohexa-1,3-diene?
The canonical SMILES for 6-diazo-2-ethenylcyclohexa-1,3-diene is C=CC1=CC(=[N+]=[N-])CC=C1.
What is the InChIKey of 6-diazo-2-ethenylcyclohexa-1,3-diene?
The InChIKey is RRUUOUVNXXUAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c1-2-7-4-3-5-8(6-7)10-9/h2-4,6H,1,5H2.
What are the key properties of 6-diazo-2-ethenylcyclohexa-1,3-diene?
6-diazo-2-ethenylcyclohexa-1,3-diene has a molecular weight of 132.17 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diazo-2-ethenylcyclohexa-1,3-diene is sourced from PubChem (CID 88729070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).