3a-Methyl-2-phenyl-1,3a,5,6,7,7a-hexahydro-4h-indol-4-one
Basic information
- CAS
6973-74-6- Standard SMILES
CC12C=C(c3ccccc3)NC1CCCC2=O- InChIKey
MWRYMEATTHJEAP-UHFFFAOYSA-N- Molecular formula
- C15H17NO
- Average molar mass
- 227.3 g/mol
- Monoisotopic mass
- 227.13101417
Names & identifiers
- Preferred name
- 3a-Methyl-2-phenyl-1,3a,5,6,7,7a-hexahydro-4h-indol-4-one
- IUPAC
- 3a-methyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indol-4-one
Names & synonyms
6973-74-63a-methyl-2-phenyl-1,3a,5,6,7,7a-hexahydro-4h-indol-4-oneNSC429893a-methyl-2-phenyl-5,6,7,7a-tetrahydro-1H-indol-4-oneDTXSID90285844NSC-42989DS-014068
Database identifiers
- CAS
6973-74-6- PubChem CID
- 238557
- DTXSID
DTXSID90285844
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 354
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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