diethyl 2-ethoxyiminopropanedioate

C9H15NO5 — CID 583575

IUPACdiethyl 2-ethoxyiminopropanedioate
SMILESCCON=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C9H15NO5/c1-4-13-8(11)7(10-15-6-3)9(12)14-5-2/h4-6H2,1-3H3
InChIKeyXEGCZLUQXCQEMG-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.51
Rot. Bonds6

About diethyl 2-ethoxyiminopropanedioate

diethyl 2-ethoxyiminopropanedioate (PubChem CID 583575) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is diethyl 2-ethoxyiminopropanedioate.

Molecular Properties

Compound Namediethyl 2-ethoxyiminopropanedioate
PubChem CID583575
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Namediethyl 2-ethoxyiminopropanedioate
SMILESCCON=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C9H15NO5/c1-4-13-8(11)7(10-15-6-3)9(12)14-5-2/h4-6H2,1-3H3
InChIKeyXEGCZLUQXCQEMG-UHFFFAOYSA-N
XLogP0.51
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diethyl 2-ethoxyiminopropanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxyiminopropanedioate?
The IUPAC name of diethyl 2-ethoxyiminopropanedioate (CID 583575) is diethyl 2-ethoxyiminopropanedioate.
What is the SMILES notation for diethyl 2-ethoxyiminopropanedioate?
The canonical SMILES for diethyl 2-ethoxyiminopropanedioate is CCON=C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-ethoxyiminopropanedioate?
The InChIKey is XEGCZLUQXCQEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO5/c1-4-13-8(11)7(10-15-6-3)9(12)14-5-2/h4-6H2,1-3H3.
What are the key properties of diethyl 2-ethoxyiminopropanedioate?
diethyl 2-ethoxyiminopropanedioate has a molecular weight of 217.22 g/mol, XLogP of 0.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxyiminopropanedioate is sourced from PubChem (CID 583575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).