Free Chemical Databases
-
[Synonyms]
Itaconamide
Itaconic diamide
Butanediamide, 2-methylene-
Succinamide, 2-methylene-
NSC43974
NSC 43974
3786-29-6
[Structure]
[ Properties Computed from Structure]
Molecular Weight 128.12922 [g/mol] Molecular Formula C5H8N2O2 XLogP -1.9 H-Bond Donor 2 H-Bond Acceptor 2 Rotatable Bond Count 3 Tautomer Count 4 Exact Mass 128.058578 MonoIsotopic Mass 128.058578 Topological Polar Surface Area 86.2 Heavy Atom Count 9 Formal Charge 0 Complexity 162 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-methylidenebutanediamide
Canonical SMILES: C=C(CC(=O)N)C(=O)N
InChI: InChI=1/C5H8N2O2/c1-3(5(7)9)2-4(6)8/h1-2H2,(H2,6,8)(H2,7,9)/f/h6-7H2
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