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
    5.9588   -0.1284    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5170    0.3344    0.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2790    1.5190    0.4138 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5145   -0.5936   -0.1240 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1352   -0.3137   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5558    0.8711    0.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1668    1.0676   -0.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6421    0.0712   -0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0458   -1.1185   -0.8329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3079   -1.3238   -0.6982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9824    0.2568   -0.6551 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9412    0.0135    0.2956 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5334   -0.4249    1.4049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3294    0.2620   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6669    0.7192   -1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3699    0.0008    1.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0632   -1.0049   -0.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2306   -0.3697    1.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5662    0.7054   -0.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248   -1.5937   -0.2987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1376    1.6874    0.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2032    2.0372    0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6620   -1.9202   -1.2009 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -2.2827   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9440    0.9285   -1.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7098    0.9025   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6225   -1.0881    0.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3123    0.5366    0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0098    0.2490    2.0480 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