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
    2.2299    1.3748   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013    0.8985    0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6178    1.5404    1.0314 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3488   -0.2590   -0.3969 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7902   -0.8378    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658   -1.9677   -0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5435   -0.4192    1.3441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5582   -1.1048    1.7120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    0.6730    2.1072 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7123    0.4588   -1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8063    1.9682   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8757    2.0083   -1.5809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7677   -0.7522   -1.2812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113   -2.4452    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7449   -2.3183   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0697    1.1823    2.5181 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