Monomers

2-Acetamidoacrylic acid

Identifiers

IUPAC name
2-acetamidoprop-2-enoic acid
InchI
InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
InchI Key
UFDFFEMHDKXMBG-UHFFFAOYSA-N
SMILES
CC(=O)NC(=C)C(=O)O
Canonical SMILES
CC(=O)NC(=C)C(=O)O
Isomeric SMILES
CC(=O)NC(=C)C(=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C5H7NO3
Heavy Atom Count
9
Molecular Weight
129.115
Exact Molecular Weight
129.0426
Valence Electrons
50
Radical Electrons
0
tPSA
66.4
MolLogP
-0.2792
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 16 15  0  0  0  0  0  0  0  0999 V2000
    2.8429    0.1891   -0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3921    0.5486   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0349    1.7340   -0.1808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -0.4606    0.0520 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9227   -0.3838    0.2935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -1.5348    0.4849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7371    0.8087    0.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    1.9714    0.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307    0.7196    0.6168 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4201    1.1164   -0.5402 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1389   -0.3726    0.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9482   -0.5081   -1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8588   -1.4535    0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704   -2.4509    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6518   -1.4839    0.6657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6599    1.5603    0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  9 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers