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
   -5.9384   -0.2672   -0.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5031   -0.4383    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2603   -0.8046    1.2100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4499   -0.1896   -0.8549 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0752   -0.3069   -0.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5252   -0.5298    0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1274   -0.6459    0.7878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7180   -0.5403   -0.2849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1473   -0.3161   -1.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -0.2005   -1.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0885   -0.6506   -0.1570 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8517    0.4765    0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501    1.5840    0.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2987    0.4144    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8961   -0.7466    0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0636    1.6817    0.4905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0137    0.7186   -0.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5693   -0.1554    0.5537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2492   -1.0868   -1.0146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7800    0.1241   -1.8307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1322   -0.6166    1.5213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016   -0.8218    1.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8196   -0.2319   -2.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6329   -0.0271   -2.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3322   -1.6328   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9602   -0.8086    0.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517    2.4448    0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8771    1.4895    1.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5126    2.0836   -0.4416 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