3-undec-1-enyl-1H-imidazol-3-ium

C14H25N2+ — CID 172745963

IUPAC3-undec-1-enyl-1H-imidazol-3-ium
SMILESCCCCCCCCCC=C[n+]1cc[nH]c1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h10-14H,2-9H2,1H3/p+1
InChIKeyJSMXATGEXRZBDA-UHFFFAOYSA-O
MW221.37 g/mol
LogP3.91
Rot. Bonds9

About 3-undec-1-enyl-1H-imidazol-3-ium

3-undec-1-enyl-1H-imidazol-3-ium (PubChem CID 172745963) has the molecular formula C14H25N2+ and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-undec-1-enyl-1H-imidazol-3-ium.

Molecular Properties

Compound Name3-undec-1-enyl-1H-imidazol-3-ium
PubChem CID172745963
Molecular FormulaC14H25N2+
Molecular Weight221.37 g/mol
Exact Mass221.20
IUPAC Name3-undec-1-enyl-1H-imidazol-3-ium
SMILESCCCCCCCCCC=C[n+]1cc[nH]c1
InChIInChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h10-14H,2-9H2,1H3/p+1
InChIKeyJSMXATGEXRZBDA-UHFFFAOYSA-O
XLogP3.91
TPSA19.67 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-octadec-1-enylpyridin-1-ium chloride
CID 67784202
2-methyl-3-tetradec-1-enyl-1H-imidazol-3-ium
CID 172747712
(E)-hexacos-10-ene
CID 22172169
(Z)-docos-9-ene
CID 11690102
(E)-hexadec-6-ene
CID 5352260
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of 3-undec-1-enyl-1H-imidazol-3-ium?
The IUPAC name of 3-undec-1-enyl-1H-imidazol-3-ium (CID 172745963) is 3-undec-1-enyl-1H-imidazol-3-ium.
What is the SMILES notation for 3-undec-1-enyl-1H-imidazol-3-ium?
The canonical SMILES for 3-undec-1-enyl-1H-imidazol-3-ium is CCCCCCCCCC=C[n+]1cc[nH]c1.
What is the InChIKey of 3-undec-1-enyl-1H-imidazol-3-ium?
The InChIKey is JSMXATGEXRZBDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H24N2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-15-14-16/h10-14H,2-9H2,1H3/p+1.
What are the key properties of 3-undec-1-enyl-1H-imidazol-3-ium?
3-undec-1-enyl-1H-imidazol-3-ium has a molecular weight of 221.37 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-1-enyl-1H-imidazol-3-ium is sourced from PubChem (CID 172745963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).