CC(=O)C(=CN(C)C)C(=O)OC
Nom: methyl 2-(dimethylaminomethylidene)-3-oxobutanoate
SMILES: CC(=O)C(=CN(C)C)C(=O)OC

Molecular Processing

Molecular formula
C8H13NO3
Molecular weight
171.2
Exact mass
171.0895
XLogP
0.19
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
44.47

Supplementary Information

InChIKey: RPFZLULJSPXVDO-UHFFFAOYSA-N
Synonymes
Methyl 2-acetyl-3-(dimethylamino)acrylateMethyl 2-((dimethylamino)methylene)-3-oxobutanoateSCHEMBL841855RPFZLULJSPXVDO-UHFFFAOYSA-NAKOS030228174DB-308185DB-3198622-acetyl-3-dimethylaminoacrylic acid methyl ester2-dimethylaminomethylene-3-oxo-butyric acid methyl ester
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→