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
    5.9197   -0.5342   -0.5384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4695   -0.1002   -0.7033 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2160    0.7229   -1.6045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4774   -0.6121    0.1282 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1092   -0.2924    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3080   -0.8197    1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398   -0.5663    1.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6932    0.1961    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1034    0.7245   -0.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4828    0.4780   -0.8638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0141    0.4848    0.1437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0024   -0.2110   -0.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6434   -1.2381   -1.0895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3742    0.2354   -0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3011   -0.4703   -1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147    1.4615    0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1384   -0.4848    0.5421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0139   -1.5799   -0.8558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5909    0.1575   -1.0507 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8182   -1.3055    0.8564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7669   -1.4484    1.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6278   -0.9960    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2859    1.3449   -1.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0662    0.9043   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3581   -0.1773   -1.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0563   -1.3653   -1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8253    2.1401    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4821    2.0732   -0.2158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0622    1.2782    1.3548 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