ethyl (E)-2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate

HCID 940366

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Basic information

CAS: 57681-49-9
Standard SMILES: CCOC(=O)/C(C#N)=C/C=C1C=CN(C)C=C1
InChIKey: AXXFEWVWZFNYQV-LFYBBSHMSA-N
Molecular formula: C13H14N2O2
Average molar mass: 230.26 g/mol
Monoisotopic mass: 230.10552769

Overview

2-cyano-4-(1-methyl-4-pyridinylidene)-2-butenoic acid ethyl ester is a fatty acid ester.

Names & identifiers

Preferred name: ethyl (E)-2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate
IUPAC: ethyl (E)-2-cyano-4-(1-methyl-4-pyridinylidene)but-2-enoate

Names & synonyms

ethyl (E)-2-cyano-4-(1-methylpyridin-4-ylidene)but-2-enoate57681-49-9NSC302031ethyl (2E)-2-cyano-4-(1-methylpyridin-4(1H)-ylidene)but-2-enoateDTXSID80359109CHEBI:117166STL334047AKOS022107277NSC-302031

Database identifiers

CAS: 57681-49-9
PubChem CID: 940366
DTXSID: DTXSID80359109
ChEBI: CHEBI:117166

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 53.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 445

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