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
   -2.8217    0.7237   -0.4068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5647   -0.1117   -0.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -1.1782   -1.2121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3411    0.3212   -0.0377 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9051   -0.3140   -0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1553   -1.4566   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0441    0.3656    0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8763    1.4458    1.1520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3142   -0.1793    0.5600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8975    1.3273   -1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7387    1.3411    0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6720    0.0345   -0.2535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999    1.2407    0.4806 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1588   -1.8772   -0.7039 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4204   -2.0340   -1.2168 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1633    0.3510    0.7236 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