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
    2.6787    0.6391    0.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1738    0.6342    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321    1.7479    0.2203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4314   -0.5431    0.2144 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9577   -0.6423    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4458   -1.9101    0.1561 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9704    0.3777    0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2239    0.0590    0.1002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7884    1.7373    0.1448 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0454    1.4759   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478    0.6272    1.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0065   -0.3230   -0.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0444   -1.4397    0.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4853   -2.1264    0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7431   -2.7120    0.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4453    2.3982   -0.2744 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