4-(2,2-diethoxyethyl)morpholine-3,5-dione

C10H17NO5 — CID 60976677

IUPAC4-(2,2-diethoxyethyl)morpholine-3,5-dione
SMILESCCOC(CN1C(=O)COCC1=O)OCC
InChIInChI=1S/C10H17NO5/c1-3-15-10(16-4-2)5-11-8(12)6-14-7-9(11)13/h10H,3-7H2,1-2H3
InChIKeyWFLCWLKVKAWTIR-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds6

About 4-(2,2-diethoxyethyl)morpholine-3,5-dione

4-(2,2-diethoxyethyl)morpholine-3,5-dione (PubChem CID 60976677) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2,2-diethoxyethyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2,2-diethoxyethyl)morpholine-3,5-dione
PubChem CID60976677
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name4-(2,2-diethoxyethyl)morpholine-3,5-dione
SMILESCCOC(CN1C(=O)COCC1=O)OCC
InChIInChI=1S/C10H17NO5/c1-3-15-10(16-4-2)5-11-8(12)6-14-7-9(11)13/h10H,3-7H2,1-2H3
InChIKeyWFLCWLKVKAWTIR-UHFFFAOYSA-N
XLogP-0.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-diethoxyethyl)morpholine-3,5-dione?
The IUPAC name of 4-(2,2-diethoxyethyl)morpholine-3,5-dione (CID 60976677) is 4-(2,2-diethoxyethyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2,2-diethoxyethyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2,2-diethoxyethyl)morpholine-3,5-dione is CCOC(CN1C(=O)COCC1=O)OCC.
What is the InChIKey of 4-(2,2-diethoxyethyl)morpholine-3,5-dione?
The InChIKey is WFLCWLKVKAWTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-3-15-10(16-4-2)5-11-8(12)6-14-7-9(11)13/h10H,3-7H2,1-2H3.
What are the key properties of 4-(2,2-diethoxyethyl)morpholine-3,5-dione?
4-(2,2-diethoxyethyl)morpholine-3,5-dione has a molecular weight of 231.25 g/mol, XLogP of -0.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-diethoxyethyl)morpholine-3,5-dione is sourced from PubChem (CID 60976677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).