Basic information
- CAS
2538-60-5- Standard SMILES
CC1=CCC2N=C(c3ccccc3)CC2(C)C1=O- InChIKey
PFVDLRROPRIHAT-UHFFFAOYSA-N- Molecular formula
- C16H17NO
- Average molar mass
- 239.31 g/mol
- Monoisotopic mass
- 239.13101417
Names & identifiers
- Preferred name
- 3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one
- IUPAC
- 3a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-one
Names & synonyms
2538-60-53a,5-dimethyl-2-phenyl-7,7a-dihydro-3H-indol-4-oneNSC151944H-Indol-4-one,3,3a,7,7a-tetrahydro-3a,5-dimethyl-2-phenyl-3a,5-dimethyl-2-phenyl-3,3a,7,7a-tetrahydro-4H-indol-4-one3A,5-dimethyl-2-phenyl-3,3a,7,7a-tetrahydro-indol-4-oneDTXSID30280055NSC-15194DS-015102
Database identifiers
- CAS
2538-60-5- PubChem CID
- 225613
- DTXSID
DTXSID30280055
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 428
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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