Darlingine
AlkaPlorer ID: AK294384
Synonym: 6,7,8,9-Tetrahydro-2,3,10-trimethylcyclohepta[b]pyran-5,8-imin-4(5H)-one
IUPAC Name: 4,5,12-trimethyl-6-oxa-12-azatricyclo[7.2.1.02,7]dodeca-2(7),4-dien-3-one
Structure
SMILES: CC1=C(C)C(=O)C2=C(CC3CCC2N3C)O1
InChI: InChI=1S/C13H17NO2/c1-7-8(2)16-11-6-9-4-5-10(14(9)3)12(11)13(7)15/h9-10H,4-6H2,1-3H3
InChIKey: WBTZDCUVPGAROE-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 219.284
TPSA？: 33.45
MolLogP？: 1.94804
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
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