Basic information
- Standard SMILES
CN(C)C=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O- InChIKey
ONXLNBUPOIEEBW-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- 5-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione
- IUPAC
- 5-(4-chlorophenyl)-2-(dimethylaminomethylidene)cyclohexane-1,3-dione
Names & synonyms
338399-40-95-(4-chlorophenyl)-2-[(dimethylamino)methylidene]cyclohexane-1,3-dioneMFCD001721305-(4-Chlorophenyl)-2-[(dimethylamino)methylene]-1,3-cyclohexanedione5-(4-chlorophenyl)-2-(dimethylaminomethylidene)cyclohexane-1,3-dioneSCHEMBL1781754CHEMBL6030071ONXLNBUPOIEEBW-LCYFTJDESA-NONXLNBUPOIEEBW-UHFFFAOYSA-NUS11529321, Compound 5BDBM584977HMS1662A06
Show more names
CCG-48626SBB083006AKOS0026754182H-934SR-01000638151-15-(4-Chloro-phenyl)-2-dimethylaminomethylene-cyclohexane-1,3-dione5-(4-chlorophenyl)-2-(dimethylaminomethylene)cyclohexane-1,3-dione2-[(dimethylamino)methylene]-5-(4-chlorophenyl)cyclohexane-1,3-dione
Database identifiers
- PubChem CID
- 567070
- ChEMBL
CHEMBL6030071
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 375
Related reactions
9 records
Compound notes
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