2-azabicyclo[2.2.0]hexa-2,5-diene

C₅H₅N — CID 71375521

About 2-azabicyclo[2.2.0]hexa-2,5-diene

2-azabicyclo[2.2.0]hexa-2,5-diene (PubChem CID 71375521) has the molecular formula C₅H₅N and a molecular weight of 79.10 g/mol. Its IUPAC name is 2-azabicyclo[2.2.0]hexa-2,5-diene.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.0]hexa-2,5-diene
• PubChem CID: 71375521
• Molecular Formula: C₅H₅N
• Molecular Weight: 79.10 g/mol
• Exact Mass: 79.04
• IUPAC Name: 2-azabicyclo[2.2.0]hexa-2,5-diene
• SMILES: C1=CC2N=CC12
• InChI: InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H
• InChIKey: UKZSOLAUQNXPLD-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 6
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	79.10
LogP ≤ 5	0.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.0]hexa-2,5-diene?

The IUPAC name of 2-azabicyclo[2.2.0]hexa-2,5-diene (CID 71375521) is 2-azabicyclo[2.2.0]hexa-2,5-diene.

What is the SMILES notation for 2-azabicyclo[2.2.0]hexa-2,5-diene?

The canonical SMILES for 2-azabicyclo[2.2.0]hexa-2,5-diene is C1=CC2N=CC12.

What is the InChIKey of 2-azabicyclo[2.2.0]hexa-2,5-diene?

The InChIKey is UKZSOLAUQNXPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N/c1-2-5-4(1)3-6-5/h1-5H.

What are the key properties of 2-azabicyclo[2.2.0]hexa-2,5-diene?

2-azabicyclo[2.2.0]hexa-2,5-diene has a molecular weight of 79.10 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.0]hexa-2,5-diene is sourced from PubChem (CID 71375521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 71375521 — identifiers, structure, computed properties (public domain)

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