4-ethylmorpholine-3,5-dione

C6H9NO3 — CID 15506865

IUPAC4-ethylmorpholine-3,5-dione
SMILESCCN1C(=O)COCC1=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-10-4-6(7)9/h2-4H2,1H3
InChIKeyNNDRZJOURLMNHE-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds1

About 4-ethylmorpholine-3,5-dione

4-ethylmorpholine-3,5-dione (PubChem CID 15506865) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-ethylmorpholine-3,5-dione.

Molecular Properties

Compound Name4-ethylmorpholine-3,5-dione
PubChem CID15506865
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-ethylmorpholine-3,5-dione
SMILESCCN1C(=O)COCC1=O
InChIInChI=1S/C6H9NO3/c1-2-7-5(8)3-10-4-6(7)9/h2-4H2,1H3
InChIKeyNNDRZJOURLMNHE-UHFFFAOYSA-N
XLogP-0.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethylmorpholine-3,5-dione?
The IUPAC name of 4-ethylmorpholine-3,5-dione (CID 15506865) is 4-ethylmorpholine-3,5-dione.
What is the SMILES notation for 4-ethylmorpholine-3,5-dione?
The canonical SMILES for 4-ethylmorpholine-3,5-dione is CCN1C(=O)COCC1=O.
What is the InChIKey of 4-ethylmorpholine-3,5-dione?
The InChIKey is NNDRZJOURLMNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-5(8)3-10-4-6(7)9/h2-4H2,1H3.
What are the key properties of 4-ethylmorpholine-3,5-dione?
4-ethylmorpholine-3,5-dione has a molecular weight of 143.14 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine-3,5-dione is sourced from PubChem (CID 15506865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).