4-hydroxy-3-[3-[3-(2-cyanoethenyl)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-one

HCID 136368372
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Basic information

Standard SMILES
Cc1cc(O)c(C(=O)C=Cc2cccc(C=CC#N)c2)c(=O)o1
InChIKey
ISBDBIYRUKLTRV-UHFFFAOYSA-N
Molecular formula
C18H13NO4
Average molar mass
307.3 g/mol

Names & identifiers

Preferred name
4-hydroxy-3-[3-[3-(2-cyanoethenyl)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-one
IUPAC
3-[3-[3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enenitrile

Names & synonyms

SCHEMBL3529613ISBDBIYRUKLTRV-UHFFFAOYSA-N4-hydroxy-3-[3-[3-(2-cyanoethenyl)phenyl]-1-oxo-2-propenyl]-6-methyl-2H-pyran-2-one

Database identifiers

PubChem CID
136368372

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
87.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

4 records
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Compound notes

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