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
    2.6586    0.4163   -0.2474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2158    0.5732    0.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8371    1.6549    0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3391   -0.5134    0.0121 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0229   -0.5808    0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6690   -1.7493    0.0760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8161    0.4647    0.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0740    0.1985    1.1701 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4689    1.7205    1.3184 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7548   -0.4061   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3000    0.1375    0.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9968    1.3589   -0.7481 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7977   -1.3810   -0.4315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7030   -1.8624    0.3041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1547   -2.5706   -0.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9912    2.5391    0.9678 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