4-ethylmorpholine-2,6-dione

C6H9NO3 — CID 19018345

IUPAC4-ethylmorpholine-2,6-dione
SMILESCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C6H9NO3/c1-2-7-3-5(8)10-6(9)4-7/h2-4H2,1H3
InChIKeyQIISQQIHLFZVLT-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.61
Rot. Bonds1

About 4-ethylmorpholine-2,6-dione

4-ethylmorpholine-2,6-dione (PubChem CID 19018345) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 4-ethylmorpholine-2,6-dione.

Molecular Properties

Compound Name4-ethylmorpholine-2,6-dione
PubChem CID19018345
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name4-ethylmorpholine-2,6-dione
SMILESCCN1CC(=O)OC(=O)C1
InChIInChI=1S/C6H9NO3/c1-2-7-3-5(8)10-6(9)4-7/h2-4H2,1H3
InChIKeyQIISQQIHLFZVLT-UHFFFAOYSA-N
XLogP-0.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
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 ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-Morpholineacetic acid
CID 438968
4,4-Diethyl-2-oxomorpholin-4-ium chloride
CID 200862
Methyl Morpholinoacetate
CID 1268178
2-(4-Methylmorpholin-4-ium-4-yl)acetate
CID 5249656
Ethyl 2-Morpholinoacetate
CID 2734105
N,N-Diethylglycine Methyl Ester
CID 559451
Morpholine, 4-methyl-, acetate (1:1)
CID 44149666
2-(Morpholin-4-yl)acetic acid hydrochloride
CID 17750946
4-Methylmorpholine-2,6-dione
CID 14320324
4-(Carboxymethyl)-4-methylmorpholin-4-ium chloride
CID 44367147
Ethyl morpholinoacetate hydrochloride
CID 45264830
Methyl morpholine-4-acetate hydrochloride
CID 44119789

Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholine-2,6-dione?
The IUPAC name of 4-ethylmorpholine-2,6-dione (CID 19018345) is 4-ethylmorpholine-2,6-dione.
What is the SMILES notation for 4-ethylmorpholine-2,6-dione?
The canonical SMILES for 4-ethylmorpholine-2,6-dione is CCN1CC(=O)OC(=O)C1.
What is the InChIKey of 4-ethylmorpholine-2,6-dione?
The InChIKey is QIISQQIHLFZVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-7-3-5(8)10-6(9)4-7/h2-4H2,1H3.
What are the key properties of 4-ethylmorpholine-2,6-dione?
4-ethylmorpholine-2,6-dione has a molecular weight of 143.14 g/mol, XLogP of -0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholine-2,6-dione is sourced from PubChem (CID 19018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).