morpholine-2,6-dione

C4H5NO3 — CID 22226403

IUPACmorpholine-2,6-dione
SMILESO=C1CNCC(=O)O1
InChIInChI=1S/C4H5NO3/c6-3-1-5-2-4(7)8-3/h5H,1-2H2
InChIKeyIJSMDZFKMKEIRX-UHFFFAOYSA-N
MW115.09 g/mol
LogP-1.34
Rot. Bonds

About morpholine-2,6-dione

morpholine-2,6-dione (PubChem CID 22226403) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is morpholine-2,6-dione.

Molecular Properties

Compound Namemorpholine-2,6-dione
PubChem CID22226403
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Namemorpholine-2,6-dione
SMILESO=C1CNCC(=O)O1
InChIInChI=1S/C4H5NO3/c6-3-1-5-2-4(7)8-3/h5H,1-2H2
InChIKeyIJSMDZFKMKEIRX-UHFFFAOYSA-N
XLogP-1.34
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Morpholin-2-one
CID 19910037
2-Morpholin-4-ium-4-ylacetate
CID 1616939
2-(2-Oxomorpholin-4-ium-4-yl)acetate
CID 6984925
Methyl 2-morpholin-4-ium-4-ylacetate
CID 7100124
Morpholin-2-one hydrochloride
CID 19910036
Acetyl 2-(ethylamino)acetate
CID 87392934
Ethane;morpholine-2,6-dione
CID 143176995
Ethane;morpholin-2-one
CID 143577559
4-Iodomorpholine-2,6-dione
CID 144844841
Morpholin-4-ide-2,6-dione
CID 162753493
Morpholin-4-ium-2-one
CID 22435813

Frequently Asked Questions

What is the IUPAC name of morpholine-2,6-dione?
The IUPAC name of morpholine-2,6-dione (CID 22226403) is morpholine-2,6-dione.
What is the SMILES notation for morpholine-2,6-dione?
The canonical SMILES for morpholine-2,6-dione is O=C1CNCC(=O)O1.
What is the InChIKey of morpholine-2,6-dione?
The InChIKey is IJSMDZFKMKEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3/c6-3-1-5-2-4(7)8-3/h5H,1-2H2.
What are the key properties of morpholine-2,6-dione?
morpholine-2,6-dione has a molecular weight of 115.09 g/mol, XLogP of -1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for morpholine-2,6-dione is sourced from PubChem (CID 22226403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).