diethyl 2-ethoxycarbonyloxyiminopropanedioate

C10H15NO7 — CID 20567995

IUPACdiethyl 2-ethoxycarbonyloxyiminopropanedioate
SMILESCCOC(=O)ON=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15NO7/c1-4-15-8(12)7(9(13)16-5-2)11-18-10(14)17-6-3/h4-6H2,1-3H3
InChIKeyOLFJCUORHXVKJE-UHFFFAOYSA-N
MW261.23 g/mol
LogP0.64
Rot. Bonds6

About diethyl 2-ethoxycarbonyloxyiminopropanedioate

diethyl 2-ethoxycarbonyloxyiminopropanedioate (PubChem CID 20567995) has the molecular formula C10H15NO7 and a molecular weight of 261.23 g/mol. Its IUPAC name is diethyl 2-ethoxycarbonyloxyiminopropanedioate.

Molecular Properties

Compound Namediethyl 2-ethoxycarbonyloxyiminopropanedioate
PubChem CID20567995
Molecular FormulaC10H15NO7
Molecular Weight261.23 g/mol
Exact Mass261.08
IUPAC Namediethyl 2-ethoxycarbonyloxyiminopropanedioate
SMILESCCOC(=O)ON=C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H15NO7/c1-4-15-8(12)7(9(13)16-5-2)11-18-10(14)17-6-3/h4-6H2,1-3H3
InChIKeyOLFJCUORHXVKJE-UHFFFAOYSA-N
XLogP0.64
TPSA100.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-ethoxycarbonyloxyiminopropanedioate?
The IUPAC name of diethyl 2-ethoxycarbonyloxyiminopropanedioate (CID 20567995) is diethyl 2-ethoxycarbonyloxyiminopropanedioate.
What is the SMILES notation for diethyl 2-ethoxycarbonyloxyiminopropanedioate?
The canonical SMILES for diethyl 2-ethoxycarbonyloxyiminopropanedioate is CCOC(=O)ON=C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-ethoxycarbonyloxyiminopropanedioate?
The InChIKey is OLFJCUORHXVKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO7/c1-4-15-8(12)7(9(13)16-5-2)11-18-10(14)17-6-3/h4-6H2,1-3H3.
What are the key properties of diethyl 2-ethoxycarbonyloxyiminopropanedioate?
diethyl 2-ethoxycarbonyloxyiminopropanedioate has a molecular weight of 261.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-ethoxycarbonyloxyiminopropanedioate is sourced from PubChem (CID 20567995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).