2-(Dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one
Basic information
- CAS
57696-94-3- Standard SMILES
CC1=C(N(C)C)C(=O)CC(C)(C)C1- InChIKey
WEDSJFGQPPOZNR-UHFFFAOYSA-N- Molecular formula
- C11H19NO
- Average molar mass
- 181.27 g/mol
- Monoisotopic mass
- 181.14666423
Names & identifiers
- Preferred name
- 2-(Dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one
- IUPAC
- 2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one
- English name
- 2-(dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one
- Molecular formula
- C11H19NO
- Molecular weight
- 181.27
Names & synonyms
2-(Dimethylamino)-3,5,5-trimethylcyclohex-2-en-1-one57696-94-3EINECS 260-907-4SCHEMBL6371637DTXSID50206398WEDSJFGQPPOZNR-UHFFFAOYSA-NDB-301971NS000337722-(Dimethylamino)-3,5,5-trimethyl-2-cyclohexen-1-one2-Cyclohexen-1-one, 2-(dimethylamino)-3,5,5-trimethyl-
Database identifiers
- CAS
57696-94-3- PubChem CID
- 93773
- DTXSID
DTXSID50206398- EC Number
- 260-907-4
- Nikkaji
- J296.770G
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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