1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium

C11H22N3O+ — CID 59325849

IUPAC1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium
SMILESCOCCN1CC[N+](C)=C1N1CCCC1
InChIInChI=1S/C11H22N3O/c1-12-7-8-14(9-10-15-2)11(12)13-5-3-4-6-13/h3-10H2,1-2H3/q+1
InChIKeySPTQAAQOUPNVLW-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.04
Rot. Bonds3

About 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium

1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium (PubChem CID 59325849) has the molecular formula C11H22N3O+ and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium
PubChem CID59325849
Molecular FormulaC11H22N3O+
Molecular Weight212.32 g/mol
Exact Mass212.18
IUPAC Name1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium
SMILESCOCCN1CC[N+](C)=C1N1CCCC1
InChIInChI=1S/C11H22N3O/c1-12-7-8-14(9-10-15-2)11(12)13-5-3-4-6-13/h3-10H2,1-2H3/q+1
InChIKeySPTQAAQOUPNVLW-UHFFFAOYSA-N
XLogP0.04
TPSA18.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium?
The IUPAC name of 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium (CID 59325849) is 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium.
What is the SMILES notation for 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium?
The canonical SMILES for 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium is COCCN1CC[N+](C)=C1N1CCCC1.
What is the InChIKey of 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium?
The InChIKey is SPTQAAQOUPNVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O/c1-12-7-8-14(9-10-15-2)11(12)13-5-3-4-6-13/h3-10H2,1-2H3/q+1.
What are the key properties of 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium?
1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium has a molecular weight of 212.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-methyl-2-pyrrolidin-1-yl-4,5-dihydroimidazol-3-ium is sourced from PubChem (CID 59325849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).