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
    2.5540    0.5240    0.7249 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    0.6239    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705    1.5714   -0.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3097   -0.4352    0.3307 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9852   -0.6106   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6313   -1.7175    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7209    0.2827   -0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9467   -0.0143   -1.3143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3282    1.4858   -1.5085 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3163    1.0851    0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5152    0.9821    1.7340 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8360   -0.5377    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6691   -1.2485    0.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163   -2.4099    0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6347   -1.9088   -0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    2.3276   -1.3715 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