3-(Dimethylamino)cyclohex-2-en-1-one
Basic information
- CAS
6135-22-4- Standard SMILES
CN(C)C1=CC(=O)CCC1- InChIKey
LLNZJTODFKRLIM-UHFFFAOYSA-N- Molecular formula
- C8H13NO
- Average molar mass
- 139.19 g/mol
- Monoisotopic mass
- 139.09971404
Names & identifiers
- Preferred name
- 3-(Dimethylamino)cyclohex-2-en-1-one
- IUPAC
- 3-(dimethylamino)cyclohex-2-en-1-one
- English name
- 3-(dimethylamino)cyclohex-2-en-1-one
- Molecular formula
- C8H13NO
- Molecular weight
- 139.19492
Names & synonyms
3-(Dimethylamino)cyclohex-2-enone3-(Dimethylamino)cyclohex-2-en-1-one6135-22-45FD26PE8P5EINECS 228-106-43-(Dimethylamino)-2-cyclohexen-1-one2-Cyclohexen-1-one, 3-(dimethylamino)-UNII-5FD26PE8P5SCHEMBL10495047LLNZJTODFKRLIM-UHFFFAOYSA-3-Dimethylamino-cyclohex-2-enoneDTXSID20210260
Show more names
LLNZJTODFKRLIM-UHFFFAOYSA-NAKOS004904142AB10319NS00034653InChI=1/C8H13NO/c1-9(2)7-4-3-5-8(10)6-7/h6H,3-5H2,1-2H3
Database identifiers
- CAS
6135-22-4- PubChem CID
- 80219
- DTXSID
DTXSID20210260- UNII
- 5FD26PE8P5
- EC Number
- 228-106-4
- Nikkaji
- J227.315B
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- FDA UNII
- 5 FD26PE8P5 · 5FD26PE8P5
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Related reactions
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Compound notes
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