Vermelhotin

AlkaPlorer ID: AK002759

Synonym: 3-[6-(1-Propenyl)-2H-pyran-2-ylidene]-2,4-pyrrolidinedione 

IUPAC Name: 3-(6-prop-1-enylpyran-2-ylidene)pyrrolidine-2,4-dione

Structure

SMILES: CC=CC1=CC=CC(=C2C(=O)CNC2=O)O1

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InChI: InChI=1S/C12H11NO3/c1-2-4-8-5-3-6-10(16-8)11-9(14)7-13-12(11)15/h2-6H,7H2,1H3,(H,13,15)

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InChIKey: AGPWDHWZOCXKTC-UHFFFAOYSA-N

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Reference

PubChem CID: 73240332

COCONUT: CNP0284067

Properties Information

Molecule Weight: 217.224

TPSA: 55.400000000000006

MolLogP: 0.9857999999999998

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information