Structure Database (LMSD)
Common Name
acetoacetamide
Systematic Name
3-oxobutanamide
Synonyms
- acetoacetic acid amide
- acetylacetamide
3D model of acetoacetamide
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
String Representations
InChiKey (Click to copy)
GCPWJFKTWGFEHH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C4H7NO2/c1-3(6)2-4(5)7/h2H2,1H3,(H2,5,7)
SMILES (Click to copy)
CC(=O)CC(N)=O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
7
Rings
0
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
101.06
Topological Polar Surface Area
60.16
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
-0.55
Molar Refractivity
24.49
Admin
Created at
-
Updated at
-