3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione

HCID 367444

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Basic information

CAS: 63053-27-0
Standard SMILES: CC(=O)C(=Cc1ccc(N(C)C)cc1)C(C)=O
InChIKey: GQOXDIKQLKIPPC-UHFFFAOYSA-N
Molecular formula: C14H17NO2
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.12592879

Names & identifiers

Preferred name: 3-(4-(Dimethylamino)benzylidene)-2,4-pentanedione
IUPAC: 3-[[4-(dimethylamino)phenyl]methylidene]pentane-2,4-dione

Names & synonyms

NSC63716763053-27-03-(4-(Dimethylamino)benzylidene)-2,4-pentanedioneSCHEMBL2025508GQOXDIKQLKIPPC-UHFFFAOYSA-DTXSID003272093-{[4-(DIMETHYLAMINO)PHENYL]METHYLIDENE}PENTANE-2,4-DIONEAKOS004906407NSC-6371673-(4-(Dimethylamino)-benzylidene)pentane-2,4-dione3-[(4-dimethylaminophenyl)methylene]pentane-2,4-dioneInChI=1/C14H17NO2/c1-10(16)14(11(2)17)9-12-5-7-13(8-6-12)15(3)4/h5-9H,1-4H3

Database identifiers

CAS: 63053-27-0
PubChem CID: 367444
DTXSID: DTXSID00327209
Nikkaji: J2.676.199I

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 37.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 307

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