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
   -5.8697    0.0485   -0.4656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4200    0.4696   -0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1410    1.5416   -1.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -0.4003    0.1389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1380   -0.1693    0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3618   -0.9323    1.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0142   -0.7285    1.1683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6105    0.1965    0.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    0.9446   -0.4866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4986    0.7559   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9709    0.4077    0.4486 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9020   -0.2631   -0.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4780   -1.1194   -1.1382 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948    0.0646   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6848    0.9680    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2915   -0.6455   -0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8686   -1.0397   -0.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4330    0.5858   -1.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3316    0.2808    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8729   -1.2988    0.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8510   -1.6718    1.7290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5748   -1.3297    1.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770    1.6915   -1.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064    1.3795   -1.2954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    1.2444    0.8709 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9793    1.5251    1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5146   -1.6048   -0.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -0.8633   -1.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2126   -0.0375   -1.0974 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