1-(4-methylmorpholin-4-ium-4-yl)ethanone

C7H14NO2+ — CID 90042639

IUPAC1-(4-methylmorpholin-4-ium-4-yl)ethanone
SMILESCC(=O)[N+]1(C)CCOCC1
InChIInChI=1S/C7H14NO2/c1-7(9)8(2)3-5-10-6-4-8/h3-6H2,1-2H3/q+1
InChIKeyRHNQWFSGTBPZHL-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.01
Rot. Bonds

About 1-(4-methylmorpholin-4-ium-4-yl)ethanone

1-(4-methylmorpholin-4-ium-4-yl)ethanone (PubChem CID 90042639) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(4-methylmorpholin-4-ium-4-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylmorpholin-4-ium-4-yl)ethanone
PubChem CID90042639
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-(4-methylmorpholin-4-ium-4-yl)ethanone
SMILESCC(=O)[N+]1(C)CCOCC1
InChIInChI=1S/C7H14NO2/c1-7(9)8(2)3-5-10-6-4-8/h3-6H2,1-2H3/q+1
InChIKeyRHNQWFSGTBPZHL-UHFFFAOYSA-N
XLogP0.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.01
H-Bond Donors ≤ 50
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 1-(4-methylmorpholin-4-ium-4-yl)ethanone?
The IUPAC name of 1-(4-methylmorpholin-4-ium-4-yl)ethanone (CID 90042639) is 1-(4-methylmorpholin-4-ium-4-yl)ethanone.
What is the SMILES notation for 1-(4-methylmorpholin-4-ium-4-yl)ethanone?
The canonical SMILES for 1-(4-methylmorpholin-4-ium-4-yl)ethanone is CC(=O)[N+]1(C)CCOCC1.
What is the InChIKey of 1-(4-methylmorpholin-4-ium-4-yl)ethanone?
The InChIKey is RHNQWFSGTBPZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2/c1-7(9)8(2)3-5-10-6-4-8/h3-6H2,1-2H3/q+1.
What are the key properties of 1-(4-methylmorpholin-4-ium-4-yl)ethanone?
1-(4-methylmorpholin-4-ium-4-yl)ethanone has a molecular weight of 144.19 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-4-ium-4-yl)ethanone is sourced from PubChem (CID 90042639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).