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

C8H13NO5 — CID 60976068

IUPAC4-(2,2-dimethoxyethyl)morpholine-3,5-dione
SMILESCOC(CN1C(=O)COCC1=O)OC
InChIInChI=1S/C8H13NO5/c1-12-8(13-2)3-9-6(10)4-14-5-7(9)11/h8H,3-5H2,1-2H3
InChIKeyRHVUGYKREQBLGN-UHFFFAOYSA-N
MW203.19 g/mol
LogP-1.01
Rot. Bonds4

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

4-(2,2-dimethoxyethyl)morpholine-3,5-dione (PubChem CID 60976068) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-(2,2-dimethoxyethyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(2,2-dimethoxyethyl)morpholine-3,5-dione
PubChem CID60976068
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-(2,2-dimethoxyethyl)morpholine-3,5-dione
SMILESCOC(CN1C(=O)COCC1=O)OC
InChIInChI=1S/C8H13NO5/c1-12-8(13-2)3-9-6(10)4-14-5-7(9)11/h8H,3-5H2,1-2H3
InChIKeyRHVUGYKREQBLGN-UHFFFAOYSA-N
XLogP-1.01
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-1.01
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-dimethoxyethyl)morpholine-3,5-dione?
The IUPAC name of 4-(2,2-dimethoxyethyl)morpholine-3,5-dione (CID 60976068) is 4-(2,2-dimethoxyethyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(2,2-dimethoxyethyl)morpholine-3,5-dione?
The canonical SMILES for 4-(2,2-dimethoxyethyl)morpholine-3,5-dione is COC(CN1C(=O)COCC1=O)OC.
What is the InChIKey of 4-(2,2-dimethoxyethyl)morpholine-3,5-dione?
The InChIKey is RHVUGYKREQBLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-12-8(13-2)3-9-6(10)4-14-5-7(9)11/h8H,3-5H2,1-2H3.
What are the key properties of 4-(2,2-dimethoxyethyl)morpholine-3,5-dione?
4-(2,2-dimethoxyethyl)morpholine-3,5-dione has a molecular weight of 203.19 g/mol, XLogP of -1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethoxyethyl)morpholine-3,5-dione is sourced from PubChem (CID 60976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).