N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine

C₁₀H₁₅N — CID 118227660

About N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine

N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine (PubChem CID 118227660) has the molecular formula C₁₀H₁₅N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine.

Molecular Properties

• Compound Name: N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
• PubChem CID: 118227660
• Molecular Formula: C₁₀H₁₅N
• Molecular Weight: 149.24 g/mol
• Exact Mass: 149.12
• IUPAC Name: N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine
• SMILES: C=C/C=N/C/C=C\C=C/CC
• InChI: InChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h4-9H,2-3,10H2,1H3/b6-5-,8-7-,11-9+
• InChIKey: DKCCTOGSXVJOAJ-URJNDAKMSA-N
• XLogP: 2.77
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	149.24
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?

The IUPAC name of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine (CID 118227660) is N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine.

What is the SMILES notation for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?

The canonical SMILES for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine is C=C/C=N/C/C=C\C=C/CC.

What is the InChIKey of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?

The InChIKey is DKCCTOGSXVJOAJ-URJNDAKMSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-6-7-8-10-11-9-4-2/h4-9H,2-3,10H2,1H3/b6-5-,8-7-,11-9+.

What are the key properties of N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine?

N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2Z,4Z)-hepta-2,4-dienyl]prop-2-en-1-imine is sourced from PubChem (CID 118227660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118227660 — identifiers, structure, computed properties (public domain)

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