Basic information
- CAS
20955-76-4- Standard SMILES
Cn1ccc2c1CC(C)(C)CC2=O- InChIKey
XERXNLCMWZDYTI-UHFFFAOYSA-N- Molecular formula
- C11H15NO
- Average molar mass
- 177.24 g/mol
- Monoisotopic mass
- 177.1153641
Names & identifiers
- Preferred name
- 1,6,6-Trimethyl-5,7-dihydroindol-4-one
- IUPAC
- 1,6,6-trimethyl-5,7-dihydroindol-4-one
- English name
- 1,6,6-trimethyl-5,7-dihydroindol-4-one
- Molecular formula
- C11H15NO
- Molecular weight
- 177.24
Names & synonyms
20955-76-41,6,6-trimethyl-5,7-dihydroindol-4-one1,6,6-trimethyl-1,5,6,7-tetrahydro-4h-indol-4-oneNSC131679DTXSID80299632AKOS004907122NSC-131679DB-3011491,6,6-Trimethyl -5,7-dihydroindol -4-one4H-Indol-4-one, 1,5,6,7-tetrahydro-1,6,6-trimethyl-
Database identifiers
- CAS
20955-76-4- PubChem CID
- 280227
- DTXSID
DTXSID80299632
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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