UNPD78640

AlkaPlorer ID: AK326131

Synonym: None

IUPAC Name: (5E)-5-[(E)-but-2-enylidene]-3-ethyl-2,3,4,7a-tetrahydro-1H-cyclopenta[b]pyridine-4,4a-diol

Structure

SMILES: C/C=C/C=C1\C=CC2NCC(CC)C(O)C12O

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InChI: InChI=1S/C14H21NO2/c1-3-5-6-11-7-8-12-14(11,17)13(16)10(4-2)9-15-12/h3,5-8,10,12-13,15-17H,4,9H2,1-2H3/b5-3+,11-6+

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InChIKey: HZSZGECQJDGGRQ-JFDBYLHYSA-N

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Source

Properties Information

Molecule Weight: 235.327

TPSA: 52.49

MolLogP: 1.1486999999999998

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information