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
   -5.9698    0.1723   -0.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986    0.4516    0.1384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1696    1.5957    0.5070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5409   -0.5450   -0.0292 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433   -0.4088    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3009   -1.4713   -0.1981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0559   -1.4210   -0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6504   -0.3130    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1361    0.7456    0.9485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5137    0.6643    0.7491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0358   -0.2876    0.7343 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8912    0.2142   -0.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3994    0.6513   -1.3086 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3368    0.2397   -0.0620 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722   -0.2164    1.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2062    0.7936   -1.1576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0176   -0.3146   -1.1223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5251    1.1310   -0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3777   -0.4948    0.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9277   -1.4987   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7857   -2.3387   -0.6504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -2.2672   -0.3262 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3293    1.6040    1.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0962    1.5123    1.0737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9374   -0.1899    1.1686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2379   -0.6059    1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0441    0.0541   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6675    0.7952   -2.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557    1.7478   -0.8831 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