7-diazocycloocta-1,3,5-triene

C8H8N2 — CID 175280929

IUPAC7-diazocycloocta-1,3,5-triene
SMILES[N-]=[N+]=C1C=CC=CC=CC1
InChIInChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-6H,7H2
InChIKeyVSRKCUNEHDZQSA-UHFFFAOYSA-N
MW132.17 g/mol
LogP1.73
Rot. Bonds

About 7-diazocycloocta-1,3,5-triene

7-diazocycloocta-1,3,5-triene (PubChem CID 175280929) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is 7-diazocycloocta-1,3,5-triene.

Molecular Properties

Compound Name7-diazocycloocta-1,3,5-triene
PubChem CID175280929
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Name7-diazocycloocta-1,3,5-triene
SMILES[N-]=[N+]=C1C=CC=CC=CC1
InChIInChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-6H,7H2
InChIKeyVSRKCUNEHDZQSA-UHFFFAOYSA-N
XLogP1.73
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-diazocycloocta-1,3,5-triene?
The IUPAC name of 7-diazocycloocta-1,3,5-triene (CID 175280929) is 7-diazocycloocta-1,3,5-triene.
What is the SMILES notation for 7-diazocycloocta-1,3,5-triene?
The canonical SMILES for 7-diazocycloocta-1,3,5-triene is [N-]=[N+]=C1C=CC=CC=CC1.
What is the InChIKey of 7-diazocycloocta-1,3,5-triene?
The InChIKey is VSRKCUNEHDZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2/c9-10-8-6-4-2-1-3-5-7-8/h1-6H,7H2.
What are the key properties of 7-diazocycloocta-1,3,5-triene?
7-diazocycloocta-1,3,5-triene has a molecular weight of 132.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-diazocycloocta-1,3,5-triene is sourced from PubChem (CID 175280929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).