N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine

C₁₀H₁₃N — CID 152858957

About N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine

N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine (PubChem CID 152858957) has the molecular formula C₁₀H₁₃N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine.

Molecular Properties

• Compound Name: N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
• PubChem CID: 152858957
• Molecular Formula: C₁₀H₁₃N
• Molecular Weight: 147.22 g/mol
• Exact Mass: 147.10
• IUPAC Name: N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine
• SMILES: C=CC1=CCCC=C1/N=C/C
• InChI: InChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-4,7-8H,1,5-6H2,2H3/b11-4+
• InChIKey: TXDGDZSKHMKWOC-NYYWCZLTSA-N
• XLogP: 2.87
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	147.22
LogP ≤ 5	2.87
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 N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?

The IUPAC name of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine (CID 152858957) is N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine.

What is the SMILES notation for N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?

The canonical SMILES for N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine is C=CC1=CCCC=C1/N=C/C.

What is the InChIKey of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?

The InChIKey is TXDGDZSKHMKWOC-NYYWCZLTSA-N. The full InChI is InChI=1S/C10H13N/c1-3-9-7-5-6-8-10(9)11-4-2/h3-4,7-8H,1,5-6H2,2H3/b11-4+.

What are the key properties of N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine?

N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-ethenylcyclohexa-1,5-dien-1-yl)ethanimine is sourced from PubChem (CID 152858957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152858957 — identifiers, structure, computed properties (public domain)

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