4-ethenyl-4-methylmorpholin-4-ium

C7H14NO+ — CID 68592421

IUPAC4-ethenyl-4-methylmorpholin-4-ium
SMILESC=C[N+]1(C)CCOCC1
InChIInChI=1S/C7H14NO/c1-3-8(2)4-6-9-7-5-8/h3H,1,4-7H2,2H3/q+1
InChIKeyDZFGGUPCQKGVOA-UHFFFAOYSA-N
MW128.19 g/mol
LogP0.61
Rot. Bonds1

About 4-ethenyl-4-methylmorpholin-4-ium

4-ethenyl-4-methylmorpholin-4-ium (PubChem CID 68592421) has the molecular formula C7H14NO+ and a molecular weight of 128.19 g/mol. Its IUPAC name is 4-ethenyl-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-ethenyl-4-methylmorpholin-4-ium
PubChem CID68592421
Molecular FormulaC7H14NO+
Molecular Weight128.19 g/mol
Exact Mass128.11
IUPAC Name4-ethenyl-4-methylmorpholin-4-ium
SMILESC=C[N+]1(C)CCOCC1
InChIInChI=1S/C7H14NO/c1-3-8(2)4-6-9-7-5-8/h3H,1,4-7H2,2H3/q+1
InChIKeyDZFGGUPCQKGVOA-UHFFFAOYSA-N
XLogP0.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-methylmorpholin-4-ium?
The IUPAC name of 4-ethenyl-4-methylmorpholin-4-ium (CID 68592421) is 4-ethenyl-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-ethenyl-4-methylmorpholin-4-ium?
The canonical SMILES for 4-ethenyl-4-methylmorpholin-4-ium is C=C[N+]1(C)CCOCC1.
What is the InChIKey of 4-ethenyl-4-methylmorpholin-4-ium?
The InChIKey is DZFGGUPCQKGVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO/c1-3-8(2)4-6-9-7-5-8/h3H,1,4-7H2,2H3/q+1.
What are the key properties of 4-ethenyl-4-methylmorpholin-4-ium?
4-ethenyl-4-methylmorpholin-4-ium has a molecular weight of 128.19 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-methylmorpholin-4-ium is sourced from PubChem (CID 68592421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).