3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea

C₁₅H₂₆N₄O₂ — CID 158151741

About 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea

3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea (PubChem CID 158151741) has the molecular formula C₁₅H₂₆N₄O₂ and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea.

Molecular Properties

• Compound Name: 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea
• PubChem CID: 158151741
• Molecular Formula: C₁₅H₂₆N₄O₂
• Molecular Weight: 294.40 g/mol
• Exact Mass: 294.21
• IUPAC Name: 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea
• SMILES: C=CC(C=C)=CC.C=CC=CC=C.NC(N)=O.NC(N)=O
• InChI: InChI=1S/C7H10.C6H8.2CH4N2O/c1-4-7(5-2)6-3;1-3-5-6-4-2;2*2-1(3)4/h4-6H,1-2H2,3H3;3-6H,1-2H2;2*(H4,2,3,4)
• InChIKey: FVESJASILJQVSP-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 138.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.40
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?

The IUPAC name of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea (CID 158151741) is 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea.

What is the SMILES notation for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?

The canonical SMILES for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea is C=CC(C=C)=CC.C=CC=CC=C.NC(N)=O.NC(N)=O.

What is the InChIKey of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?

The InChIKey is FVESJASILJQVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.C6H8.2CH4N2O/c1-4-7(5-2)6-3;1-3-5-6-4-2;2*2-1(3)4/h4-6H,1-2H2,3H3;3-6H,1-2H2;2*(H4,2,3,4).

What are the key properties of 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea?

3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea has a molecular weight of 294.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethenylpenta-1,3-diene;hexa-1,3,5-triene;urea is sourced from PubChem (CID 158151741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158151741 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.