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
   -5.9831    0.2705   -0.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4981    0.3477   -0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1297    0.4721   -1.9159 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5374    0.2806    0.2930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1357    0.3322    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4674    0.2253   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0615    0.3055   -1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6999    0.4913    0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0034    0.5940    1.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3625    0.5224    1.3153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    0.5655   -0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9052   -0.5459    0.0627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3284   -1.6542    0.2331 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3420   -0.4178   -0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9155    0.7454   -0.2054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1769   -1.6270    0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1315   -0.7010    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2741    1.1298    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5447    0.1890   -1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9236    0.1748    1.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0163    0.0698   -1.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    0.2132   -2.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5884    0.7419    2.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8731    0.6081    2.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504    1.6743   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.8497   -0.2746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6019   -2.5614   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0214   -1.6119   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5509   -1.6837    1.1277 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