1-(2a,7b-Dihydrocyclobuta[b]indol-3-yl)-2,2-dimethylpropan-1-one
Basic information
- CAS
7237-95-8- Standard SMILES
CC(C)(C)C(=O)N1c2ccccc2C2C=CC21- InChIKey
NOFOQXYWQVDMNU-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 1-(2a,7b-Dihydrocyclobuta[b]indol-3-yl)-2,2-dimethylpropan-1-one
- IUPAC
- 1-(2a,7b-dihydrocyclobuta[b]indol-3-yl)-2,2-dimethylpropan-1-one
Names & synonyms
7237-95-81-(2a,7b-dihydrocyclobuta[b]indol-3-yl)-2,2-dimethylpropan-1-oneDTXSID504136011-(2a,7b-Dihydro-3H-cyclobuta[b]indol-3-yl)-2,2-dimethylpropan-1-one
Database identifiers
- CAS
7237-95-8- PubChem CID
- 5255261
- DTXSID
DTXSID50413601
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…