1-azabicyclo[3.2.0]hept-3-ene

C₆H₉N — CID 148854275

About 1-azabicyclo[3.2.0]hept-3-ene

1-azabicyclo[3.2.0]hept-3-ene (PubChem CID 148854275) has the molecular formula C₆H₉N and a molecular weight of 95.14 g/mol. Its IUPAC name is 1-azabicyclo[3.2.0]hept-3-ene.

Molecular Properties

• Compound Name: 1-azabicyclo[3.2.0]hept-3-ene
• PubChem CID: 148854275
• Molecular Formula: C₆H₉N
• Molecular Weight: 95.14 g/mol
• Exact Mass: 95.07
• IUPAC Name: 1-azabicyclo[3.2.0]hept-3-ene
• SMILES: C1=CC2CCN2C1
• InChI: InChI=1S/C6H9N/c1-2-6-3-5-7(6)4-1/h1-2,6H,3-5H2
• InChIKey: OYAZSQPNLRIKDX-UHFFFAOYSA-N
• XLogP: 0.63
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Heavy Atoms: 7
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	95.14
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 1-azabicyclo[3.2.0]hept-3-ene?

The IUPAC name of 1-azabicyclo[3.2.0]hept-3-ene (CID 148854275) is 1-azabicyclo[3.2.0]hept-3-ene.

What is the SMILES notation for 1-azabicyclo[3.2.0]hept-3-ene?

The canonical SMILES for 1-azabicyclo[3.2.0]hept-3-ene is C1=CC2CCN2C1.

What is the InChIKey of 1-azabicyclo[3.2.0]hept-3-ene?

The InChIKey is OYAZSQPNLRIKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-3-5-7(6)4-1/h1-2,6H,3-5H2.

What are the key properties of 1-azabicyclo[3.2.0]hept-3-ene?

1-azabicyclo[3.2.0]hept-3-ene has a molecular weight of 95.14 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 1-azabicyclo[3.2.0]hept-3-ene is sourced from PubChem (CID 148854275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 148854275 — identifiers, structure, computed properties (public domain)

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