1-[(E)-oct-1-enyl]imidazole

C11H18N2 — CID 122364319

IUPAC1-[(E)-oct-1-enyl]imidazole
SMILESCCCCCC/C=C/n1ccnc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h7-11H,2-6H2,1H3/b9-7+
InChIKeyVDVSRBLFOXIVGH-VQHVLOKHSA-N
MW178.28 g/mol
LogP3.32
Rot. Bonds6

About 1-[(E)-oct-1-enyl]imidazole

1-[(E)-oct-1-enyl]imidazole (PubChem CID 122364319) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-[(E)-oct-1-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-oct-1-enyl]imidazole
PubChem CID122364319
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-[(E)-oct-1-enyl]imidazole
SMILESCCCCCC/C=C/n1ccnc1
InChIInChI=1S/C11H18N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h7-11H,2-6H2,1H3/b9-7+
InChIKeyVDVSRBLFOXIVGH-VQHVLOKHSA-N
XLogP3.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-penta-1,4-dienylimidazole
CID 66665708
N-octadec-9-enylimidazole-1-carboxamide
CID 54037396
imidazol-1-yl (Z)-octadec-9-enoate
CID 141294503
1-ethylimidazole;octane
CID 145297576
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(E)-nonacos-10-ene
CID 14367300
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-hexacos-10-ene
CID 22172169

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-oct-1-enyl]imidazole?
The IUPAC name of 1-[(E)-oct-1-enyl]imidazole (CID 122364319) is 1-[(E)-oct-1-enyl]imidazole.
What is the SMILES notation for 1-[(E)-oct-1-enyl]imidazole?
The canonical SMILES for 1-[(E)-oct-1-enyl]imidazole is CCCCCC/C=C/n1ccnc1.
What is the InChIKey of 1-[(E)-oct-1-enyl]imidazole?
The InChIKey is VDVSRBLFOXIVGH-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18N2/c1-2-3-4-5-6-7-9-13-10-8-12-11-13/h7-11H,2-6H2,1H3/b9-7+.
What are the key properties of 1-[(E)-oct-1-enyl]imidazole?
1-[(E)-oct-1-enyl]imidazole has a molecular weight of 178.28 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-oct-1-enyl]imidazole is sourced from PubChem (CID 122364319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).