4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione

C9H13NO5 — CID 63789057

IUPAC4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2COCCO2)CC(=O)O1
InChIInChI=1S/C9H13NO5/c11-8-4-10(5-9(12)15-8)3-7-6-13-1-2-14-7/h7H,1-6H2
InChIKeyZJMOURZUWPFEKK-UHFFFAOYSA-N
MW215.20 g/mol
LogP-1.21
Rot. Bonds2

About 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione

4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione (PubChem CID 63789057) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione
PubChem CID63789057
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione
SMILESO=C1CN(CC2COCCO2)CC(=O)O1
InChIInChI=1S/C9H13NO5/c11-8-4-10(5-9(12)15-8)3-7-6-13-1-2-14-7/h7H,1-6H2
InChIKeyZJMOURZUWPFEKK-UHFFFAOYSA-N
XLogP-1.21
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione?
The IUPAC name of 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione (CID 63789057) is 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione?
The canonical SMILES for 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione is O=C1CN(CC2COCCO2)CC(=O)O1.
What is the InChIKey of 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione?
The InChIKey is ZJMOURZUWPFEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c11-8-4-10(5-9(12)15-8)3-7-6-13-1-2-14-7/h7H,1-6H2.
What are the key properties of 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione?
4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione has a molecular weight of 215.20 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxan-2-ylmethyl)morpholine-2,6-dione is sourced from PubChem (CID 63789057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).