4-(3,3-diethoxypropyl)morpholine-3,5-dione

C11H19NO5 — CID 55247634

IUPAC4-(3,3-diethoxypropyl)morpholine-3,5-dione
SMILESCCOC(CCN1C(=O)COCC1=O)OCC
InChIInChI=1S/C11H19NO5/c1-3-16-11(17-4-2)5-6-12-9(13)7-15-8-10(12)14/h11H,3-8H2,1-2H3
InChIKeyACFAIQNSAHDRLF-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.16
Rot. Bonds7

About 4-(3,3-diethoxypropyl)morpholine-3,5-dione

4-(3,3-diethoxypropyl)morpholine-3,5-dione (PubChem CID 55247634) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-(3,3-diethoxypropyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(3,3-diethoxypropyl)morpholine-3,5-dione
PubChem CID55247634
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-(3,3-diethoxypropyl)morpholine-3,5-dione
SMILESCCOC(CCN1C(=O)COCC1=O)OCC
InChIInChI=1S/C11H19NO5/c1-3-16-11(17-4-2)5-6-12-9(13)7-15-8-10(12)14/h11H,3-8H2,1-2H3
InChIKeyACFAIQNSAHDRLF-UHFFFAOYSA-N
XLogP0.16
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.16
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-(3,3-diethoxypropyl)morpholine-3,5-dione?
The IUPAC name of 4-(3,3-diethoxypropyl)morpholine-3,5-dione (CID 55247634) is 4-(3,3-diethoxypropyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(3,3-diethoxypropyl)morpholine-3,5-dione?
The canonical SMILES for 4-(3,3-diethoxypropyl)morpholine-3,5-dione is CCOC(CCN1C(=O)COCC1=O)OCC.
What is the InChIKey of 4-(3,3-diethoxypropyl)morpholine-3,5-dione?
The InChIKey is ACFAIQNSAHDRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-3-16-11(17-4-2)5-6-12-9(13)7-15-8-10(12)14/h11H,3-8H2,1-2H3.
What are the key properties of 4-(3,3-diethoxypropyl)morpholine-3,5-dione?
4-(3,3-diethoxypropyl)morpholine-3,5-dione has a molecular weight of 245.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-diethoxypropyl)morpholine-3,5-dione is sourced from PubChem (CID 55247634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).