4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione

C11H14N2O6 — CID 14818436

IUPAC4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione
SMILESO=C1CN(CCCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C11H14N2O6/c14-8-4-12(5-9(15)18-8)2-1-3-13-6-10(16)19-11(17)7-13/h1-7H2
InChIKeyZPNXCYPVJIGMAF-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.85
Rot. Bonds4

About 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione

4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione (PubChem CID 14818436) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione
PubChem CID14818436
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione
SMILESO=C1CN(CCCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C11H14N2O6/c14-8-4-12(5-9(15)18-8)2-1-3-13-6-10(16)19-11(17)7-13/h1-7H2
InChIKeyZPNXCYPVJIGMAF-UHFFFAOYSA-N
XLogP-1.85
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione?
The IUPAC name of 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione (CID 14818436) is 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione?
The canonical SMILES for 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione is O=C1CN(CCCN2CC(=O)OC(=O)C2)CC(=O)O1.
What is the InChIKey of 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione?
The InChIKey is ZPNXCYPVJIGMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-8-4-12(5-9(15)18-8)2-1-3-13-6-10(16)19-11(17)7-13/h1-7H2.
What are the key properties of 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione?
4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione has a molecular weight of 270.24 g/mol, XLogP of -1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dioxomorpholin-4-yl)propyl]morpholine-2,6-dione is sourced from PubChem (CID 14818436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).