2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium

C11H19N2O+ — CID 142281184

IUPAC2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium
SMILESCCC/C=C(/OC)c1n(C)cc[n+]1C
InChIInChI=1S/C11H19N2O/c1-5-6-7-10(14-4)11-12(2)8-9-13(11)3/h7-9H,5-6H2,1-4H3/q+1/b10-7+
InChIKeyIIRUNPZCAZOMDZ-JXMROGBWSA-N
MW195.29 g/mol
LogP1.64
Rot. Bonds4

About 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium

2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium (PubChem CID 142281184) has the molecular formula C11H19N2O+ and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium.

Molecular Properties

Compound Name2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium
PubChem CID142281184
Molecular FormulaC11H19N2O+
Molecular Weight195.29 g/mol
Exact Mass195.15
IUPAC Name2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium
SMILESCCC/C=C(/OC)c1n(C)cc[n+]1C
InChIInChI=1S/C11H19N2O/c1-5-6-7-10(14-4)11-12(2)8-9-13(11)3/h7-9H,5-6H2,1-4H3/q+1/b10-7+
InChIKeyIIRUNPZCAZOMDZ-JXMROGBWSA-N
XLogP1.64
TPSA18.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium?
The IUPAC name of 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium (CID 142281184) is 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium.
What is the SMILES notation for 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium?
The canonical SMILES for 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium is CCC/C=C(/OC)c1n(C)cc[n+]1C.
What is the InChIKey of 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium?
The InChIKey is IIRUNPZCAZOMDZ-JXMROGBWSA-N. The full InChI is InChI=1S/C11H19N2O/c1-5-6-7-10(14-4)11-12(2)8-9-13(11)3/h7-9H,5-6H2,1-4H3/q+1/b10-7+.
What are the key properties of 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium?
2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium has a molecular weight of 195.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-methoxypent-1-enyl]-1,3-dimethylimidazol-1-ium is sourced from PubChem (CID 142281184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).