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
cid=

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
   -5.8741   -0.6473   -0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3956   -0.5218   -0.9178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9439   -0.8193   -2.0410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5229   -0.0837    0.0945 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293    0.0814    0.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514    0.3740    1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871    0.5576    1.2106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6738    0.4638    0.0558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0148    0.1793   -1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3997   -0.0139   -1.1197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0097    0.6635    0.1766 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9604   -0.2972    0.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4669   -1.4517    0.5525 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3791   -0.0550    0.5553 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1823   -1.0628    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816    1.3397    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3962   -0.6719   -1.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2693    0.2431   -0.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1139   -1.5537   -0.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0279    0.1435    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0364    0.4490    2.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3713    0.7817    2.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5296    0.0967   -1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8697   -0.2304   -2.0559 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2370   -0.8937    0.8944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8035   -2.0572    0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9608    1.3387    0.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7809    1.5950   -0.6703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2952    2.0526    1.0025 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