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
   -5.9450    0.5619    0.7147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4500    0.5369    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005    1.0800    1.9432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5845   -0.0682   -0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -0.1581    0.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5062   -0.8167   -0.9727 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1375   -0.9425   -0.9681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6467   -0.4432    0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050    0.2011    1.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3834    0.3375    1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0019   -0.5723    0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.2997   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4713    1.3360   -1.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3290   -0.0070   -0.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7539   -1.1042    0.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3485    0.9203   -0.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2678    1.5903    1.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2206    0.2835   -0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3798   -0.1208    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0716   -0.5048   -0.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0854   -1.2319   -1.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3054   -1.4649   -1.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5317    0.6322    1.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8316    0.8475    1.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0627   -1.8094    0.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8054   -1.3257    0.2449 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0301    1.2481   -2.0185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5394    1.7863   -0.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3069    0.3785   -1.1406 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