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
    5.9367    0.0312    0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4640    0.1560    0.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0977    0.2986    1.7649 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5110    0.1161   -0.4475 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1062    0.2237   -0.3201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4285    0.4166    0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481    0.5072    0.8696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7030    0.4032   -0.3065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0359    0.2090   -1.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3294    0.1235   -1.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0744    0.5038   -0.1986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8953   -0.6062    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3210   -1.7087    0.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3376   -0.4915    0.1228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0452   -1.5836    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9907    0.8330    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1590   -1.0589    0.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5330    0.4345    1.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2016    0.4923   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154   -0.0088   -1.4243 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9303    0.5055    1.7719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4378    0.6604    1.8203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745    0.1252   -2.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8602   -0.0305   -2.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5819   -2.5475    0.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1316   -1.5412    0.4097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2248    1.0867   -1.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2654    1.6013    0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9022    0.8492    0.6545 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