morpholine-2,3-dione

C4H5NO3 — CID 5108689

IUPACmorpholine-2,3-dione
SMILESO=C1NCCOC1=O
InChIInChI=1S/C4H5NO3/c6-3-4(7)8-2-1-5-3/h1-2H2,(H,5,6)
InChIKeyMENOBBYDZHOWLE-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.34
Rot. Bonds

About morpholine-2,3-dione

morpholine-2,3-dione (PubChem CID 5108689) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is morpholine-2,3-dione.

Molecular Properties

Compound Namemorpholine-2,3-dione
PubChem CID5108689
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Namemorpholine-2,3-dione
SMILESO=C1NCCOC1=O
InChIInChI=1S/C4H5NO3/c6-3-4(7)8-2-1-5-3/h1-2H2,(H,5,6)
InChIKeyMENOBBYDZHOWLE-UHFFFAOYSA-N
XLogP-1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholine-2,3-dione?
The IUPAC name of morpholine-2,3-dione (CID 5108689) is morpholine-2,3-dione.
What is the SMILES notation for morpholine-2,3-dione?
The canonical SMILES for morpholine-2,3-dione is O=C1NCCOC1=O.
What is the InChIKey of morpholine-2,3-dione?
The InChIKey is MENOBBYDZHOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-4(7)8-2-1-5-3/h1-2H2,(H,5,6).
What are the key properties of morpholine-2,3-dione?
morpholine-2,3-dione has a molecular weight of 115.09 g/mol, XLogP of -1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2,3-dione is sourced from PubChem (CID 5108689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).