(Z)-1-imidazol-1-yloct-3-en-1-one

C₁₁H₁₆N₂O — CID 59547618

About (Z)-1-imidazol-1-yloct-3-en-1-one

(Z)-1-imidazol-1-yloct-3-en-1-one (PubChem CID 59547618) has the molecular formula C₁₁H₁₆N₂O and a molecular weight of 192.26 g/mol. Its IUPAC name is (Z)-1-imidazol-1-yloct-3-en-1-one.

Molecular Properties

• Compound Name: (Z)-1-imidazol-1-yloct-3-en-1-one
• PubChem CID: 59547618
• Molecular Formula: C₁₁H₁₆N₂O
• Molecular Weight: 192.26 g/mol
• Exact Mass: 192.13
• IUPAC Name: (Z)-1-imidazol-1-yloct-3-en-1-one
• SMILES: CCCC/C=C\CC(=O)n1ccnc1
• InChI: InChI=1S/C11H16N2O/c1-2-3-4-5-6-7-11(14)13-9-8-12-10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5-
• InChIKey: VZDGBHRGILITSM-WAYWQWQTSA-N
• XLogP: 2.66
• TPSA: 34.89 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 14
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	192.26
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-imidazol-1-yloct-3-en-1-one?

The IUPAC name of (Z)-1-imidazol-1-yloct-3-en-1-one (CID 59547618) is (Z)-1-imidazol-1-yloct-3-en-1-one.

What is the SMILES notation for (Z)-1-imidazol-1-yloct-3-en-1-one?

The canonical SMILES for (Z)-1-imidazol-1-yloct-3-en-1-one is CCCC/C=C\CC(=O)n1ccnc1.

What is the InChIKey of (Z)-1-imidazol-1-yloct-3-en-1-one?

The InChIKey is VZDGBHRGILITSM-WAYWQWQTSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-3-4-5-6-7-11(14)13-9-8-12-10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5-.

What are the key properties of (Z)-1-imidazol-1-yloct-3-en-1-one?

(Z)-1-imidazol-1-yloct-3-en-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1-imidazol-1-yloct-3-en-1-one is sourced from PubChem (CID 59547618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59547618 — identifiers, structure, computed properties (public domain)

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