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Basic information
- Standard SMILES
CC=C1[C@H]2C=C(C)C[C@]1(N)c1ccc(=O)[nH]c1[C@@H]2O- InChIKey
WFICABZBCMBKJQ-DFKRKDTASA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
- Monoisotopic mass
- 258.13682782
Names & identifiers
- Preferred name
- (1R,8R,9R)-1-amino-13-ethylidene-8-hydroxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
- IUPAC
- (1R,8R,9R)-1-amino-13-ethylidene-8-hydroxy-11-methyl-6-azatricyclo[7.3.1.02,7]trideca-2(7),3,10-trien-5-one
Names & synonyms
SCHEMBL29462934
Database identifiers
- PubChem CID
- 366239
Properties
Computed structural propertiesFilling in
- XLogP
- -1.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 583
Related reactions
0 records
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Compound notes
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