Basic information
- Standard SMILES
C/C=C1/[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1C2- InChIKey
ZRJBHWIHUMBLCN-SEQYCRGISA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Names & identifiers
- Preferred name
- (-)-Isoselagine
- IUPAC
- (1R,9R,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Names & synonyms
(-)huperzine A92138-20-0(-)-ISOSELAGINESCHEMBL136369ZRJBHWIHUMBLCN-SEQYCRGISA-NHMS3887I17(-)-Huperzine A, analytical standardAKOS015895133AKOS015951180AKOS025312517CCG-266893CS-1153
Show more names
EBC-611089HY-17387BRD-K45888792-001-01-0BRD-K45888792-001-02-8BRD-K45888792-001-03-6(1R,9R,13Z)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0,2,7]trideca-2(7),3,10-trien-5-one(5R,9R,Z)-5-Amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one
Database identifiers
- PubChem CID
- 907504
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 551
Related reactions
1 records
Compound notes
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