5-diazocyclopenta-1,3-diene

C10H8N4 — CID 158046292

IUPAC5-diazocyclopenta-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C1.[N-]=[N+]=C1C=CC=C1
InChIInChI=1S/2C5H4N2/c2*6-7-5-3-1-2-4-5/h2*1-4H
InChIKeyFIYKEVUQASEXSF-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.57
Rot. Bonds

About 5-diazocyclopenta-1,3-diene

5-diazocyclopenta-1,3-diene (PubChem CID 158046292) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-diazocyclopenta-1,3-diene.

Molecular Properties

Compound Name5-diazocyclopenta-1,3-diene
PubChem CID158046292
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name5-diazocyclopenta-1,3-diene
SMILES[N-]=[N+]=C1C=CC=C1.[N-]=[N+]=C1C=CC=C1
InChIInChI=1S/2C5H4N2/c2*6-7-5-3-1-2-4-5/h2*1-4H
InChIKeyFIYKEVUQASEXSF-UHFFFAOYSA-N
XLogP1.57
TPSA72.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.57
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 5-diazocyclopenta-1,3-diene?
The IUPAC name of 5-diazocyclopenta-1,3-diene (CID 158046292) is 5-diazocyclopenta-1,3-diene.
What is the SMILES notation for 5-diazocyclopenta-1,3-diene?
The canonical SMILES for 5-diazocyclopenta-1,3-diene is [N-]=[N+]=C1C=CC=C1.[N-]=[N+]=C1C=CC=C1.
What is the InChIKey of 5-diazocyclopenta-1,3-diene?
The InChIKey is FIYKEVUQASEXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H4N2/c2*6-7-5-3-1-2-4-5/h2*1-4H.
What are the key properties of 5-diazocyclopenta-1,3-diene?
5-diazocyclopenta-1,3-diene has a molecular weight of 184.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazocyclopenta-1,3-diene is sourced from PubChem (CID 158046292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).