4-methylmorpholin-4-ium

C5H12NO+ — CID 3862507

IUPAC4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1
InChIInChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3/p+1
InChIKeySJRJJKPEHAURKC-UHFFFAOYSA-O
MW102.16 g/mol
LogP-1.47
Rot. Bonds

About 4-methylmorpholin-4-ium

4-methylmorpholin-4-ium (PubChem CID 3862507) has the molecular formula C5H12NO+ and a molecular weight of 102.16 g/mol. Its IUPAC name is 4-methylmorpholin-4-ium.

Molecular Properties

Compound Name4-methylmorpholin-4-ium
PubChem CID3862507
Molecular FormulaC5H12NO+
Molecular Weight102.16 g/mol
Exact Mass102.09
IUPAC Name4-methylmorpholin-4-ium
SMILESC[NH+]1CCOCC1
InChIInChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3/p+1
InChIKeySJRJJKPEHAURKC-UHFFFAOYSA-O
XLogP-1.47
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methylmorpholin-4-ium?
The IUPAC name of 4-methylmorpholin-4-ium (CID 3862507) is 4-methylmorpholin-4-ium.
What is the SMILES notation for 4-methylmorpholin-4-ium?
The canonical SMILES for 4-methylmorpholin-4-ium is C[NH+]1CCOCC1.
What is the InChIKey of 4-methylmorpholin-4-ium?
The InChIKey is SJRJJKPEHAURKC-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NO/c1-6-2-4-7-5-3-6/h2-5H2,1H3/p+1.
What are the key properties of 4-methylmorpholin-4-ium?
4-methylmorpholin-4-ium has a molecular weight of 102.16 g/mol, XLogP of -1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylmorpholin-4-ium is sourced from PubChem (CID 3862507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).