Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate

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Basic information

CAS: 6286-56-2
Standard SMILES: CCOC(=O)/C(C#N)=C/c1c[nH]c2ccccc12
InChIKey: XDRLIASMKGKPDX-JXMROGBWSA-N
Molecular formula: C14H12N2O2
Average molar mass: 240.26 g/mol
Monoisotopic mass: 240.08987763

Names & identifiers

Preferred name: Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate
IUPAC: ethyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate

Names & synonyms

Ethyl 2-cyano-3-(1H-indol-3-yl)acrylate(E)-ethyl 2-cyano-3-(1H-indol-3-yl)acrylate6286-56-2ethyl (E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoateEthyl 2-cyano-3-(3-indole)acrylateNSC660162Ethyl 2-cyano-3-(1H-indol-3-yl)-2-propenoateSMR000217308MLS000737920(E)-2-Cyano-3-(1H-indol-3-yl)-acrylic acid ethyl esterETHYL (2E)-2-CYANO-3-(1H-INDOL-3-YL)PROP-2-ENOATEEINECS 228-517-9

Show more names

MLS000590297SCHEMBL554733CHEMBL1571971SCHEMBL29395946XDRLIASMKGKPDX-JXMROGBWSA-NHMS2551D21NSC 10091AKOS002187602

Database identifiers

CAS: 6286-56-2
PubChem CID: 688356
ChEMBL: CHEMBL1571971
EC Number: 228-517-9
Nikkaji: J2.109.972D、J206.848F

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 65.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 394

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Compound notes

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