4-Ethylidenehepta-1,6-diene;urea

C₁₀H₁₈N₂O — CID 87388861

About 4-Ethylidenehepta-1,6-diene;urea

4-Ethylidenehepta-1,6-diene;urea (PubChem CID 87388861) has the molecular formula C₁₀H₁₈N₂O and a molecular weight of 182.27 g/mol. Its IUPAC name is 4-ethylidenehepta-1,6-diene;urea.

Molecular Properties

• Compound Name: 4-Ethylidenehepta-1,6-diene;urea
• PubChem CID: 87388861
• Molecular Formula: C₁₀H₁₈N₂O
• Molecular Weight: 182.27 g/mol
• Exact Mass: 182.14
• IUPAC Name: 4-ethylidenehepta-1,6-diene;urea
• SMILES: C=CCC(=CC)CC=C.NC(N)=O
• InChI: InChI=1S/C9H14.CH4N2O/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-6H,1-2,7-8H2,3H3;(H4,2,3,4)
• InChIKey: XFEIQYQUYRJCOW-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 69.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	182.27
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	2
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 4-Ethylidenehepta-1,6-diene;urea?

The IUPAC name of 4-Ethylidenehepta-1,6-diene;urea (CID 87388861) is 4-ethylidenehepta-1,6-diene;urea.

What is the SMILES notation for 4-Ethylidenehepta-1,6-diene;urea?

The canonical SMILES for 4-Ethylidenehepta-1,6-diene;urea is C=CCC(=CC)CC=C.NC(N)=O.

What is the InChIKey of 4-Ethylidenehepta-1,6-diene;urea?

The InChIKey is XFEIQYQUYRJCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.CH4N2O/c1-4-7-9(6-3)8-5-2;2-1(3)4/h4-6H,1-2,7-8H2,3H3;(H4,2,3,4).

What are the key properties of 4-Ethylidenehepta-1,6-diene;urea?

4-Ethylidenehepta-1,6-diene;urea has a molecular weight of 182.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Ethylidenehepta-1,6-diene;urea is sourced from PubChem (CID 87388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 87388861 — identifiers, structure, computed properties (public domain)

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