morpholin-4-ium-2-one

C4H8NO2+ — CID 22435813

IUPACmorpholin-4-ium-2-one
SMILESO=C1C[NH2+]CCO1
InChIInChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h5H,1-3H2/p+1
InChIKeyZQHJAAMMKABEBS-UHFFFAOYSA-O
MW102.11 g/mol
LogP-1.89
Rot. Bonds

About morpholin-4-ium-2-one

morpholin-4-ium-2-one (PubChem CID 22435813) has the molecular formula C4H8NO2+ and a molecular weight of 102.11 g/mol. Its IUPAC name is morpholin-4-ium-2-one.

Molecular Properties

Compound Namemorpholin-4-ium-2-one
PubChem CID22435813
Molecular FormulaC4H8NO2+
Molecular Weight102.11 g/mol
Exact Mass102.05
IUPAC Namemorpholin-4-ium-2-one
SMILESO=C1C[NH2+]CCO1
InChIInChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h5H,1-3H2/p+1
InChIKeyZQHJAAMMKABEBS-UHFFFAOYSA-O
XLogP-1.89
TPSA42.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-1.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ium-2-one?
The IUPAC name of morpholin-4-ium-2-one (CID 22435813) is morpholin-4-ium-2-one.
What is the SMILES notation for morpholin-4-ium-2-one?
The canonical SMILES for morpholin-4-ium-2-one is O=C1C[NH2+]CCO1.
What is the InChIKey of morpholin-4-ium-2-one?
The InChIKey is ZQHJAAMMKABEBS-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H7NO2/c6-4-3-5-1-2-7-4/h5H,1-3H2/p+1.
What are the key properties of morpholin-4-ium-2-one?
morpholin-4-ium-2-one has a molecular weight of 102.11 g/mol, XLogP of -1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ium-2-one is sourced from PubChem (CID 22435813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).