ST024316
Basic information
- CAS
61997-76-0- Standard SMILES
Cc1ccccc1NC1=CC(=O)CC(C)(C)C1- InChIKey
SOPAHYKHHSLSLX-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- ST024316
- IUPAC
- 5,5-dimethyl-3-(2-methylanilino)cyclohex-2-en-1-one
Names & synonyms
61997-76-0ST024316DTXSID90351371RefChem:381308DTXCID203024375,5-dimethyl-3-(2-methylanilino)cyclohex-2-en-1-one5,5-dimethyl-3-[(2-methylphenyl)amino]cyclohex-2-en-1-one5,5-Dimethyl-3-o-tolylamino-cyclohex-2-enoneCambridge id 5404794MLS000525504CHEMBL3212584SCHEMBL25791850
Show more names
HMS2451C05HMS5170G032-Cyclohexen-1-one, 5,5-dimethyl-3-[(2-methylphenyl)amino]-AKOS000610532HS-5721SMR000115978AB00084219-01SR-01000479703
Database identifiers
- CAS
61997-76-0- PubChem CID
- 698518
- DTXSID
DTXSID90351371- ChEMBL
CHEMBL3212584- Nikkaji
- J1.316.888A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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