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
    5.8019   -1.0443   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149   -1.2446   -0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8836   -2.2871    0.1451 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607   -0.1887   -0.7316 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0639   -0.1852   -0.5881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3839   -1.0631    0.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109   -0.9903    0.2711 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7341   -0.0649   -0.4503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0478    0.8186   -1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3152    0.7488   -1.3143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1153   -0.0831   -0.3170 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7792    0.6660    0.6516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0427    1.3658    1.4042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2181    0.6578    0.8032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9855   -0.0660    0.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8413    1.4817    1.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1569   -0.3283    0.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9831   -0.6017   -1.5841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3411   -2.0059   -0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8893    0.7043   -1.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -1.8054    0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5095   -1.7045    0.9181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6091    1.5453   -1.8234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    1.4456   -1.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0507   -0.1186    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5143   -0.6780   -0.7579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6279    0.9593    2.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9440    1.6030    1.6986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3188    2.4633    1.8531 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