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

C12H15NO6 — CID 163572786

IUPAC4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione
SMILESO=C1CC(CCCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C12H15NO6/c14-9-4-8(5-10(15)18-9)2-1-3-13-6-11(16)19-12(17)7-13/h8H,1-7H2
InChIKeyGAVADYSZVIXKLA-UHFFFAOYSA-N
MW269.25 g/mol
LogP-0.37
Rot. Bonds4

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

4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione (PubChem CID 163572786) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione
PubChem CID163572786
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione
SMILESO=C1CC(CCCN2CC(=O)OC(=O)C2)CC(=O)O1
InChIInChI=1S/C12H15NO6/c14-9-4-8(5-10(15)18-9)2-1-3-13-6-11(16)19-12(17)7-13/h8H,1-7H2
InChIKeyGAVADYSZVIXKLA-UHFFFAOYSA-N
XLogP-0.37
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-dioxooxan-4-yl)propyl]morpholine-2,6-dione?
The IUPAC name of 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione (CID 163572786) is 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione?
The canonical SMILES for 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione is O=C1CC(CCCN2CC(=O)OC(=O)C2)CC(=O)O1.
What is the InChIKey of 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione?
The InChIKey is GAVADYSZVIXKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c14-9-4-8(5-10(15)18-9)2-1-3-13-6-11(16)19-12(17)7-13/h8H,1-7H2.
What are the key properties of 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione?
4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione has a molecular weight of 269.25 g/mol, XLogP of -0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dioxooxan-4-yl)propyl]morpholine-2,6-dione is sourced from PubChem (CID 163572786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).