(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine

C₁₀H₁₄N₂ — CID 130350966

About (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine

(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine (PubChem CID 130350966) has the molecular formula C₁₀H₁₄N₂ and a molecular weight of 162.24 g/mol. Its IUPAC name is (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine.

Molecular Properties

• Compound Name: (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
• PubChem CID: 130350966
• Molecular Formula: C₁₀H₁₄N₂
• Molecular Weight: 162.24 g/mol
• Exact Mass: 162.12
• IUPAC Name: (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine
• SMILES: C=C/C(=C/C=N/C)C(=C)/N=C/C
• InChI: InChI=1S/C10H14N2/c1-5-10(7-8-11-4)9(3)12-6-2/h5-8H,1,3H2,2,4H3/b10-7-,11-8+,12-6+
• InChIKey: BTRBOQMCPKVWSZ-PGJLQHPFSA-N
• XLogP: 2.40
• TPSA: 24.72 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	162.24
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?

The IUPAC name of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine (CID 130350966) is (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine.

What is the SMILES notation for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?

The canonical SMILES for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine is C=C/C(=C/C=N/C)C(=C)/N=C/C.

What is the InChIKey of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?

The InChIKey is BTRBOQMCPKVWSZ-PGJLQHPFSA-N. The full InChI is InChI=1S/C10H14N2/c1-5-10(7-8-11-4)9(3)12-6-2/h5-8H,1,3H2,2,4H3/b10-7-,11-8+,12-6+.

What are the key properties of (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine?

(2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine has a molecular weight of 162.24 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-3-ethenyl-4-N-ethylidene-1-N-methylpenta-2,4-diene-1,4-diimine is sourced from PubChem (CID 130350966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130350966 — identifiers, structure, computed properties (public domain)

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