Basic information
- CAS
85372-39-0- Standard SMILES
C=C1C[C@]2(C)c3ccccc3NC(=O)[C@H]12- InChIKey
SYKKYQFLKIRXBJ-WCQYABFASA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- (2aR,8bS)-8b-methyl-2-methylene-2a,4-dihydro-1H-cyclobuta[c]quinolin-3-one
- IUPAC
- (2aR,8bS)-8b-methyl-2-methylidene-2a,4-dihydro-1H-cyclobuta[c]quinolin-3-one
Names & synonyms
85372-39-0NSC370470(2aR,8bS)-8b-methyl-2-methylene-2a,4-dihydro-1H-cyclobuta[c]quinolin-3-oneNSC-370470
Database identifiers
- CAS
85372-39-0- PubChem CID
- 340253
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 335
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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