(1S,4S,8S)-3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
AlkaPlorer ID: AK575860
Synonym: None
IUPAC Name: 3,8-dimethyl-2-azabicyclo[2.2.2]oct-2-en-5-one
Structure
SMILES: CC1=NC2CC(=O)C1C(C)C2
InChI: InChI=1S/C9H13NO/c1-5-3-7-4-8(11)9(5)6(2)10-7/h5,7,9H,3-4H2,1-2H3
InChIKey: XWZBTIGBVQYTRB-UHFFFAOYSA-N
Reference
Alkaloids of peripentadenia mearsii. II
PubChem CID: 442648
CAS: 92446-42-9
LOTUS: LTS0007353
COCONUT: CNP0310260.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Peripentadenia mearsii | Peripentadenia | Elaeocarpaceae | Oxalidales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 151.20899999999995
TPSA？: 29.43
MolLogP？: 1.4447
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|