Ethyl 3-ethoxy-3-imino-2-(cyclopropyloxyimino)propionate

HCID 54045971

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=N)C(=NOC1CC1)C(=O)OCC
InChIKey: LPPOYACDMLGFEL-UHFFFAOYSA-N
Molecular formula: C10H16N2O4
Average molar mass: 228.24 g/mol

Names & identifiers

Preferred name: Ethyl 3-ethoxy-3-imino-2-(cyclopropyloxyimino)propionate
IUPAC: ethyl 2-cyclopropyloxyimino-3-ethoxy-3-iminopropanoate

Names & synonyms

SCHEMBL9703017LPPOYACDMLGFEL-UHFFFAOYSA-Nethyl 3-ethoxy-3-imino-2-(cyclopropyloxyimino)propionate

Database identifiers

PubChem CID: 54045971

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 81 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 297

Related reactions

6 records

New reaction record

HRID 89402 reaction equation

HRID 89402As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 135053 reaction equation

HRID 135053As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1074340 reaction equation

HRID 1074340As productuspto-grants-1990_11

HRID 1074341 reaction equation

HRID 1074341As reactantuspto-grants-1990_11

HRID 1723582 reaction equation

HRID 1723582As productuspto-grants-1989_08

HRID 1723583 reaction equation

HRID 1723583As reactantuspto-grants-1989_08

Compound notes

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