Basic information
- CAS
98208-18-5- Standard SMILES
CC1(C)CC(=O)C(c2c[nH]c3ccccc23)C(=O)C1- InChIKey
LBDUZHZSJNMCHP-UHFFFAOYSA-N- Molecular formula
- C16H17NO2
- Average molar mass
- 255.31 g/mol
- Monoisotopic mass
- 255.12592879
Names & identifiers
- Preferred name
- 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
- IUPAC
- 2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione
Names & synonyms
2-(1H-indol-3-yl)-5,5-dimethylcyclohexane-1,3-dione98208-18-5Enamine_000805Oprea1_295178Oprea1_746409MLS000856071SCHEMBL1050492CHEMBL15294642-(1H-Indol-3-yl)-5,5-dimethyl-cyclohexane-1,3-dioneDTXSID70355231LBDUZHZSJNMCHP-UHFFFAOYSA-NHMS1396E13
Show more names
HMS2698B11MFCD00612478STK726980AKOS000593009CCG-103665SMR000282816VS-13777CS-0325573
Database identifiers
- CAS
98208-18-5- PubChem CID
- 794456
- DTXSID
DTXSID70355231- ChEMBL
CHEMBL1529464
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 382
Related reactions
2 records
Compound notes
Loading…