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
Main
Classification
Category
Main Class
Sub Class
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
References
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
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Created at
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Updated at
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