cyclooctatetraenyldiazene

C8H8N2 — CID 175397638

IUPACcyclooctatetraenyldiazene
SMILES[H]/N=N/C1=CC=CC=CC=C1
InChIInChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6?,8-7?,10-9+
InChIKeyWSDWOMAGEUXJFN-WPUNOCPXSA-N
MW132.17 g/mol
LogP2.58
Rot. Bonds1

About cyclooctatetraenyldiazene

cyclooctatetraenyldiazene (PubChem CID 175397638) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is cyclooctatetraenyldiazene.

Molecular Properties

Compound Namecyclooctatetraenyldiazene
PubChem CID175397638
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Namecyclooctatetraenyldiazene
SMILES[H]/N=N/C1=CC=CC=CC=C1
InChIInChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6?,8-7?,10-9+
InChIKeyWSDWOMAGEUXJFN-WPUNOCPXSA-N
XLogP2.58
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclooctatetraenyldiazene?
The IUPAC name of cyclooctatetraenyldiazene (CID 175397638) is cyclooctatetraenyldiazene.
What is the SMILES notation for cyclooctatetraenyldiazene?
The canonical SMILES for cyclooctatetraenyldiazene is [H]/N=N/C1=CC=CC=CC=C1.
What is the InChIKey of cyclooctatetraenyldiazene?
The InChIKey is WSDWOMAGEUXJFN-WPUNOCPXSA-N. The full InChI is InChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-7,9H/b2-1?,3-1?,4-2?,5-3?,6-4?,7-5?,8-6?,8-7?,10-9+.
What are the key properties of cyclooctatetraenyldiazene?
cyclooctatetraenyldiazene has a molecular weight of 132.17 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctatetraenyldiazene is sourced from PubChem (CID 175397638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).