4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione

C10H15NO5 — CID 66472131

IUPAC4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCC1OCCCO1
InChIInChI=1S/C10H15NO5/c12-8-6-14-7-9(13)11(8)3-2-10-15-4-1-5-16-10/h10H,1-7H2
InChIKeySRDKFIXMGVHXDY-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.48
Rot. Bonds3

About 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione

4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione (PubChem CID 66472131) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione
PubChem CID66472131
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCC1OCCCO1
InChIInChI=1S/C10H15NO5/c12-8-6-14-7-9(13)11(8)3-2-10-15-4-1-5-16-10/h10H,1-7H2
InChIKeySRDKFIXMGVHXDY-UHFFFAOYSA-N
XLogP-0.48
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione (CID 66472131) is 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCC1OCCCO1.
What is the InChIKey of 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione?
The InChIKey is SRDKFIXMGVHXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c12-8-6-14-7-9(13)11(8)3-2-10-15-4-1-5-16-10/h10H,1-7H2.
What are the key properties of 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione?
4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione has a molecular weight of 229.23 g/mol, XLogP of -0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-dioxan-2-yl)ethyl]morpholine-3,5-dione is sourced from PubChem (CID 66472131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).