3-[(Dimethylamino)methylidene]hexane-2,4-dione

HCID 54005133
NotesReactions

Completing data — usually done within a minute

Substructure searchFind similar structures

Basic information

CAS
88302-03-8
Standard SMILES
CCC(=O)C(=CN(C)C)C(C)=O
InChIKey
KOIAGXAXVITXID-UHFFFAOYSA-N
Molecular formula
C9H15NO2
Average molar mass
169.22 g/mol
Monoisotopic mass
169.11027872

Names & identifiers

Preferred name
3-[(Dimethylamino)methylidene]hexane-2,4-dione
IUPAC
3-(dimethylaminomethylidene)hexane-2,4-dione

Names & synonyms

88302-03-83-[(Dimethylamino)methylidene]hexane-2,4-dioneSCHEMBL10818408DTXSID50708307KOIAGXAXVITXID-UHFFFAOYSA-N3-dimethylaminomethylene 2,4-hexanedione3-dimethylaminomethylene-2,4 hexanedione3-dimethylaminomethylene-2,4-hexanedione

Database identifiers

CAS
88302-03-8
PubChem CID
54005133
DTXSID
DTXSID50708307

Properties

Computed structural propertiesFilling in

XLogP
0.7
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
12

Related reactions

16 records
New reaction record

Compound notes

Loading…