4-methyl-4-oxidomorpholin-4-ium;morpholine

C9H20N2O3 — CID 159781986

IUPAC4-methyl-4-oxidomorpholin-4-ium;morpholine
SMILESC1COCCN1.C[N+]1([O-])CCOCC1
InChIInChI=1S/C5H11NO2.C4H9NO/c1-6(7)2-4-8-5-3-6;1-3-6-4-2-5-1/h2-5H2,1H3;5H,1-4H2
InChIKeyNHLYGPJDMWRKIB-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.43
Rot. Bonds

About 4-methyl-4-oxidomorpholin-4-ium;morpholine

4-methyl-4-oxidomorpholin-4-ium;morpholine (PubChem CID 159781986) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 4-methyl-4-oxidomorpholin-4-ium;morpholine.

Molecular Properties

Compound Name4-methyl-4-oxidomorpholin-4-ium;morpholine
PubChem CID159781986
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name4-methyl-4-oxidomorpholin-4-ium;morpholine
SMILESC1COCCN1.C[N+]1([O-])CCOCC1
InChIInChI=1S/C5H11NO2.C4H9NO/c1-6(7)2-4-8-5-3-6;1-3-6-4-2-5-1/h2-5H2,1H3;5H,1-4H2
InChIKeyNHLYGPJDMWRKIB-UHFFFAOYSA-N
XLogP-0.43
TPSA53.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methyl-4-oxidomorpholin-4-ium;morpholine?
The IUPAC name of 4-methyl-4-oxidomorpholin-4-ium;morpholine (CID 159781986) is 4-methyl-4-oxidomorpholin-4-ium;morpholine.
What is the SMILES notation for 4-methyl-4-oxidomorpholin-4-ium;morpholine?
The canonical SMILES for 4-methyl-4-oxidomorpholin-4-ium;morpholine is C1COCCN1.C[N+]1([O-])CCOCC1.
What is the InChIKey of 4-methyl-4-oxidomorpholin-4-ium;morpholine?
The InChIKey is NHLYGPJDMWRKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.C4H9NO/c1-6(7)2-4-8-5-3-6;1-3-6-4-2-5-1/h2-5H2,1H3;5H,1-4H2.
What are the key properties of 4-methyl-4-oxidomorpholin-4-ium;morpholine?
4-methyl-4-oxidomorpholin-4-ium;morpholine has a molecular weight of 204.27 g/mol, XLogP of -0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-oxidomorpholin-4-ium;morpholine is sourced from PubChem (CID 159781986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).