Monomers

4-(Acetylamino)phenyl 2-methyl-2-propenoate

Identifiers

IUPAC name
(4-acetamidophenyl) 2-methylprop-2-enoate
InchI
InChI=1S/C12H13NO3/c1-8(2)12(15)16-11-6-4-10(5-7-11)13-9(3)14/h4-7H,1H2,2-3H3,(H,13,14)
InchI Key
PZJZQKCKFRXTMP-UHFFFAOYSA-N
SMILES
CC(=O)Nc1ccc(cc1)OC(=O)C(=C)C
Canonical SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)NC(=O)C
Isomeric SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)NC(=O)C
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H13NO3
Heavy Atom Count
16
Molecular Weight
219.24
Exact Molecular Weight
219.0895
Valence Electrons
84
Radical Electrons
0
tPSA
55.4
MolLogP
2.1265
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 29 29  0  0  0  0  0  0  0  0999 V2000
   -5.8538   -0.2429   -0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4328   -0.3139   -0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2837   -0.5066    1.0787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3485   -0.1640   -1.0374 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9945   -0.2048   -0.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5481   -0.2156    0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1835   -0.2699    0.8703 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6786   -0.3111   -0.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2462   -0.3006   -1.4850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0949   -0.2474   -1.7657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0369   -0.3653    0.0583 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8253    0.7464    0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989    1.8891    0.0774 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2466    0.5771    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    1.6380    0.5834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147   -0.7878    0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9593    0.5679   -1.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5564   -0.0497    0.1709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1362   -1.1880   -1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6575   -0.0058   -2.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1814   -0.1779    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2012   -0.2801    1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9648   -0.3343   -2.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4639   -0.2382   -2.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0549    1.5070    0.7790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5814    2.6117    0.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2302   -1.4371   -0.1197 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6202   -1.1481    1.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8852   -0.7483    0.3183 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  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 14 16  1  0
 10  5  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
  9 23  1  0
 10 24  1  0
 15 25  1  0
 15 26  1  0
 16 27  1  0
 16 28  1  0
 16 29  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers