4,4-diethylmorpholin-4-ium-2-one;hydrochloride

C8H17ClNO2+ — CID 126959666

IUPAC4,4-diethylmorpholin-4-ium-2-one;hydrochloride
SMILESCC[N+]1(CC)CCOC(=O)C1.Cl
InChIInChI=1S/C8H16NO2.ClH/c1-3-9(4-2)5-6-11-8(10)7-9;/h3-7H2,1-2H3;1H/q+1;
InChIKeyRBRYBFQKZYAIQT-UHFFFAOYSA-N
MW194.68 g/mol
LogP0.82
Rot. Bonds2

About 4,4-diethylmorpholin-4-ium-2-one;hydrochloride

4,4-diethylmorpholin-4-ium-2-one;hydrochloride (PubChem CID 126959666) has the molecular formula C8H17ClNO2+ and a molecular weight of 194.68 g/mol. Its IUPAC name is 4,4-diethylmorpholin-4-ium-2-one;hydrochloride.

Molecular Properties

Compound Name4,4-diethylmorpholin-4-ium-2-one;hydrochloride
PubChem CID126959666
Molecular FormulaC8H17ClNO2+
Molecular Weight194.68 g/mol
Exact Mass194.09
IUPAC Name4,4-diethylmorpholin-4-ium-2-one;hydrochloride
SMILESCC[N+]1(CC)CCOC(=O)C1.Cl
InChIInChI=1S/C8H16NO2.ClH/c1-3-9(4-2)5-6-11-8(10)7-9;/h3-7H2,1-2H3;1H/q+1;
InChIKeyRBRYBFQKZYAIQT-UHFFFAOYSA-N
XLogP0.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.68
LogP ≤ 50.82
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 4,4-diethylmorpholin-4-ium-2-one;hydrochloride?
The IUPAC name of 4,4-diethylmorpholin-4-ium-2-one;hydrochloride (CID 126959666) is 4,4-diethylmorpholin-4-ium-2-one;hydrochloride.
What is the SMILES notation for 4,4-diethylmorpholin-4-ium-2-one;hydrochloride?
The canonical SMILES for 4,4-diethylmorpholin-4-ium-2-one;hydrochloride is CC[N+]1(CC)CCOC(=O)C1.Cl.
What is the InChIKey of 4,4-diethylmorpholin-4-ium-2-one;hydrochloride?
The InChIKey is RBRYBFQKZYAIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2.ClH/c1-3-9(4-2)5-6-11-8(10)7-9;/h3-7H2,1-2H3;1H/q+1;.
What are the key properties of 4,4-diethylmorpholin-4-ium-2-one;hydrochloride?
4,4-diethylmorpholin-4-ium-2-one;hydrochloride has a molecular weight of 194.68 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylmorpholin-4-ium-2-one;hydrochloride is sourced from PubChem (CID 126959666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).