4-hydroxy-4-methylmorpholin-4-ium

C5H12NO2+ — CID 22973188

IUPAC4-hydroxy-4-methylmorpholin-4-ium
SMILESC[N+]1(O)CCOCC1
InChIInChI=1S/C5H12NO2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3/q+1
InChIKeyIRPGPGLVZOAFCU-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.15
Rot. Bonds

About 4-hydroxy-4-methylmorpholin-4-ium

4-hydroxy-4-methylmorpholin-4-ium (PubChem CID 22973188) has the molecular formula C5H12NO2+ and a molecular weight of 118.16 g/mol. Its IUPAC name is 4-hydroxy-4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-hydroxy-4-methylmorpholin-4-ium
PubChem CID22973188
Molecular FormulaC5H12NO2+
Molecular Weight118.16 g/mol
Exact Mass118.09
IUPAC Name4-hydroxy-4-methylmorpholin-4-ium
SMILESC[N+]1(O)CCOCC1
InChIInChI=1S/C5H12NO2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3/q+1
InChIKeyIRPGPGLVZOAFCU-UHFFFAOYSA-N
XLogP-0.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-4-methylmorpholin-4-ium?
The IUPAC name of 4-hydroxy-4-methylmorpholin-4-ium (CID 22973188) is 4-hydroxy-4-methylmorpholin-4-ium.
What is the SMILES notation for 4-hydroxy-4-methylmorpholin-4-ium?
The canonical SMILES for 4-hydroxy-4-methylmorpholin-4-ium is C[N+]1(O)CCOCC1.
What is the InChIKey of 4-hydroxy-4-methylmorpholin-4-ium?
The InChIKey is IRPGPGLVZOAFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO2/c1-6(7)2-4-8-5-3-6/h7H,2-5H2,1H3/q+1.
What are the key properties of 4-hydroxy-4-methylmorpholin-4-ium?
4-hydroxy-4-methylmorpholin-4-ium has a molecular weight of 118.16 g/mol, XLogP of -0.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylmorpholin-4-ium is sourced from PubChem (CID 22973188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).