morpholin-4-ide-2,6-dione

C4H4NO3- — CID 162753493

IUPACmorpholin-4-ide-2,6-dione
SMILESO=C1C[N-]CC(=O)O1
InChIInChI=1S/C4H4NO3/c6-3-1-5-2-4(7)8-3/h1-2H2/q-1
InChIKeyOZIMKDOBOPCEQB-UHFFFAOYSA-N
MW114.08 g/mol
LogP-0.56
Rot. Bonds

About morpholin-4-ide-2,6-dione

morpholin-4-ide-2,6-dione (PubChem CID 162753493) has the molecular formula C4H4NO3- and a molecular weight of 114.08 g/mol. Its IUPAC name is morpholin-4-ide-2,6-dione.

Molecular Properties

Compound Namemorpholin-4-ide-2,6-dione
PubChem CID162753493
Molecular FormulaC4H4NO3-
Molecular Weight114.08 g/mol
Exact Mass114.02
IUPAC Namemorpholin-4-ide-2,6-dione
SMILESO=C1C[N-]CC(=O)O1
InChIInChI=1S/C4H4NO3/c6-3-1-5-2-4(7)8-3/h1-2H2/q-1
InChIKeyOZIMKDOBOPCEQB-UHFFFAOYSA-N
XLogP-0.56
TPSA57.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.08
LogP ≤ 5-0.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-ide-2,6-dione?
The IUPAC name of morpholin-4-ide-2,6-dione (CID 162753493) is morpholin-4-ide-2,6-dione.
What is the SMILES notation for morpholin-4-ide-2,6-dione?
The canonical SMILES for morpholin-4-ide-2,6-dione is O=C1C[N-]CC(=O)O1.
What is the InChIKey of morpholin-4-ide-2,6-dione?
The InChIKey is OZIMKDOBOPCEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4NO3/c6-3-1-5-2-4(7)8-3/h1-2H2/q-1.
What are the key properties of morpholin-4-ide-2,6-dione?
morpholin-4-ide-2,6-dione has a molecular weight of 114.08 g/mol, XLogP of -0.56, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ide-2,6-dione is sourced from PubChem (CID 162753493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).