4-(2-methoxyethyl)morpholine-2,6-dione

C7H11NO4 — CID 63779036

IUPAC4-(2-methoxyethyl)morpholine-2,6-dione
SMILESCOCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C7H11NO4/c1-11-3-2-8-4-6(9)12-7(10)5-8/h2-5H2,1H3
InChIKeyACMKRUAENUQPHD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.98
Rot. Bonds3

About 4-(2-methoxyethyl)morpholine-2,6-dione

4-(2-methoxyethyl)morpholine-2,6-dione (PubChem CID 63779036) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-(2-methoxyethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(2-methoxyethyl)morpholine-2,6-dione
PubChem CID63779036
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name4-(2-methoxyethyl)morpholine-2,6-dione
SMILESCOCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C7H11NO4/c1-11-3-2-8-4-6(9)12-7(10)5-8/h2-5H2,1H3
InChIKeyACMKRUAENUQPHD-UHFFFAOYSA-N
XLogP-0.98
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-(2-methoxyethyl)morpholine-2,6-dione?
The IUPAC name of 4-(2-methoxyethyl)morpholine-2,6-dione (CID 63779036) is 4-(2-methoxyethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(2-methoxyethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(2-methoxyethyl)morpholine-2,6-dione is COCCN1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(2-methoxyethyl)morpholine-2,6-dione?
The InChIKey is ACMKRUAENUQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-11-3-2-8-4-6(9)12-7(10)5-8/h2-5H2,1H3.
What are the key properties of 4-(2-methoxyethyl)morpholine-2,6-dione?
4-(2-methoxyethyl)morpholine-2,6-dione has a molecular weight of 173.17 g/mol, XLogP of -0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)morpholine-2,6-dione is sourced from PubChem (CID 63779036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).