Azapetine

C₁₇H₁₇N — CID 8966

About Azapetine

Azapetine (PubChem CID 8966) has the molecular formula C₁₇H₁₇N and a molecular weight of 235.33 g/mol. Its IUPAC name is 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine.

Molecular Properties

• Compound Name: Azapetine
• PubChem CID: 8966
• Molecular Formula: C₁₇H₁₇N
• Molecular Weight: 235.33 g/mol
• Exact Mass: 235.14
• IUPAC Name: 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine
• SMILES: C=CCN1Cc2ccccc2-c2ccccc2C1
• InChI: InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2
• InChIKey: NYGHGTMKALXFIA-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	235.33
LogP ≤ 5	3.86
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 Azapetine?

The IUPAC name of Azapetine (CID 8966) is 6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine.

What is the SMILES notation for Azapetine?

The canonical SMILES for Azapetine is C=CCN1Cc2ccccc2-c2ccccc2C1.

What is the InChIKey of Azapetine?

The InChIKey is NYGHGTMKALXFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-11-18-12-14-7-3-5-9-16(14)17-10-6-4-8-15(17)13-18/h2-10H,1,11-13H2.

What are the key properties of Azapetine?

Azapetine has a molecular weight of 235.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for Azapetine is sourced from PubChem (CID 8966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 8966 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 265 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.