1-dec-9-enyl-1H-imidazol-1-ium iodide

C13H23IN2 — CID 66808419

IUPAC1-dec-9-enyl-1H-imidazol-1-ium iodide
SMILESC=CCCCCCCCC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C13H22N2.HI/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h2,10,12-13H,1,3-9,11H2;1H
InChIKeyYLXZAGVGJPDRDZ-UHFFFAOYSA-N
MW334.25 g/mol
LogP-0.69
Rot. Bonds9

About 1-dec-9-enyl-1H-imidazol-1-ium iodide

1-dec-9-enyl-1H-imidazol-1-ium iodide (PubChem CID 66808419) has the molecular formula C13H23IN2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 1-dec-9-enyl-1H-imidazol-1-ium iodide.

Molecular Properties

Compound Name1-dec-9-enyl-1H-imidazol-1-ium iodide
PubChem CID66808419
Molecular FormulaC13H23IN2
Molecular Weight334.25 g/mol
Exact Mass334.09
IUPAC Name1-dec-9-enyl-1H-imidazol-1-ium iodide
SMILESC=CCCCCCCCC[NH+]1C=CN=C1.[I-]
InChIInChI=1S/C13H22N2.HI/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h2,10,12-13H,1,3-9,11H2;1H
InChIKeyYLXZAGVGJPDRDZ-UHFFFAOYSA-N
XLogP-0.69
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-1H-imidazol-1-ium
CID 17841393
1-heptyl-1H-imidazol-1-ium iodide
CID 22476655
1,3-Diazacyclotrideca-2,12-diene
CID 53871194
1-octyl-1H-imidazol-1-ium iodide
CID 66863776
1-[(Z)-nonadec-10-enyl]-1H-imidazol-1-ium chloride
CID 70477583
1-hept-6-enyl-1H-imidazol-1-ium chloride
CID 89940671
1-butyl-4-hexyl-1H-imidazol-1-ium bromide
CID 118093706
17-(4,5-dihydroimidazol-1-yl)-N-ethylheptadec-16-en-1-amine
CID 141215518
1-hept-6-enyl-1H-imidazol-1-ium tetrafluoroborate
CID 174187766

Frequently Asked Questions

What is the IUPAC name of 1-dec-9-enyl-1H-imidazol-1-ium iodide?
The IUPAC name of 1-dec-9-enyl-1H-imidazol-1-ium iodide (CID 66808419) is 1-dec-9-enyl-1H-imidazol-1-ium iodide.
What is the SMILES notation for 1-dec-9-enyl-1H-imidazol-1-ium iodide?
The canonical SMILES for 1-dec-9-enyl-1H-imidazol-1-ium iodide is C=CCCCCCCCC[NH+]1C=CN=C1.[I-].
What is the InChIKey of 1-dec-9-enyl-1H-imidazol-1-ium iodide?
The InChIKey is YLXZAGVGJPDRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.HI/c1-2-3-4-5-6-7-8-9-11-15-12-10-14-13-15;/h2,10,12-13H,1,3-9,11H2;1H.
What are the key properties of 1-dec-9-enyl-1H-imidazol-1-ium iodide?
1-dec-9-enyl-1H-imidazol-1-ium iodide has a molecular weight of 334.25 g/mol, XLogP of -0.69, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dec-9-enyl-1H-imidazol-1-ium iodide is sourced from PubChem (CID 66808419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).