4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine

C11H22N3O2+ — CID 59325844

IUPAC4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine
SMILESCOCCN1CC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C11H22N3O2/c1-12-3-4-13(5-8-15-2)11(12)14-6-9-16-10-7-14/h3-10H2,1-2H3/q+1
InChIKeyMDYUURZGFWYISL-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.72
Rot. Bonds3

About 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine

4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine (PubChem CID 59325844) has the molecular formula C11H22N3O2+ and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine
PubChem CID59325844
Molecular FormulaC11H22N3O2+
Molecular Weight228.32 g/mol
Exact Mass228.17
IUPAC Name4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine
SMILESCOCCN1CC[N+](C)=C1N1CCOCC1
InChIInChI=1S/C11H22N3O2/c1-12-3-4-13(5-8-15-2)11(12)14-6-9-16-10-7-14/h3-10H2,1-2H3/q+1
InChIKeyMDYUURZGFWYISL-UHFFFAOYSA-N
XLogP-0.72
TPSA27.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine?
The IUPAC name of 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine (CID 59325844) is 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine?
The canonical SMILES for 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine is COCCN1CC[N+](C)=C1N1CCOCC1.
What is the InChIKey of 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine?
The InChIKey is MDYUURZGFWYISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N3O2/c1-12-3-4-13(5-8-15-2)11(12)14-6-9-16-10-7-14/h3-10H2,1-2H3/q+1.
What are the key properties of 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine?
4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine has a molecular weight of 228.32 g/mol, XLogP of -0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-3-methyl-4,5-dihydroimidazol-3-ium-2-yl]morpholine is sourced from PubChem (CID 59325844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).