8-ethenyl-N-methyl-7H-naphthalen-1-imine

C₁₃H₁₃N — CID 146638891

About 8-ethenyl-N-methyl-7H-naphthalen-1-imine

8-ethenyl-N-methyl-7H-naphthalen-1-imine (PubChem CID 146638891) has the molecular formula C₁₃H₁₃N and a molecular weight of 183.25 g/mol. Its IUPAC name is 8-ethenyl-N-methyl-7H-naphthalen-1-imine.

Molecular Properties

• Compound Name: 8-ethenyl-N-methyl-7H-naphthalen-1-imine
• PubChem CID: 146638891
• Molecular Formula: C₁₃H₁₃N
• Molecular Weight: 183.25 g/mol
• Exact Mass: 183.10
• IUPAC Name: 8-ethenyl-N-methyl-7H-naphthalen-1-imine
• SMILES: C=CC1=C2C(=CC=C/C2=N\C)C=CC1
• InChI: InChI=1S/C13H13N/c1-3-10-6-4-7-11-8-5-9-12(14-2)13(10)11/h3-5,7-9H,1,6H2,2H3/b14-12+
• InChIKey: MJYRWQYTKGTBDR-WYMLVPIESA-N
• XLogP: 3.00
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	183.25
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-N-methyl-7H-naphthalen-1-imine?

The IUPAC name of 8-ethenyl-N-methyl-7H-naphthalen-1-imine (CID 146638891) is 8-ethenyl-N-methyl-7H-naphthalen-1-imine.

What is the SMILES notation for 8-ethenyl-N-methyl-7H-naphthalen-1-imine?

The canonical SMILES for 8-ethenyl-N-methyl-7H-naphthalen-1-imine is C=CC1=C2C(=CC=C/C2=N\C)C=CC1.

What is the InChIKey of 8-ethenyl-N-methyl-7H-naphthalen-1-imine?

The InChIKey is MJYRWQYTKGTBDR-WYMLVPIESA-N. The full InChI is InChI=1S/C13H13N/c1-3-10-6-4-7-11-8-5-9-12(14-2)13(10)11/h3-5,7-9H,1,6H2,2H3/b14-12+.

What are the key properties of 8-ethenyl-N-methyl-7H-naphthalen-1-imine?

8-ethenyl-N-methyl-7H-naphthalen-1-imine has a molecular weight of 183.25 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-ethenyl-N-methyl-7H-naphthalen-1-imine is sourced from PubChem (CID 146638891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146638891 — identifiers, structure, computed properties (public domain)

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