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
    5.5944    1.7749    0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2808    1.0247    0.4907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2154    0.1113    1.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2673    1.3766   -0.4000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0159    0.7412   -0.4773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    1.3368   -1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2496    0.7658   -1.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5344   -0.4311   -0.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4580   -1.0300   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7362   -0.4416    0.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -1.0365   -0.8609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7898   -0.7489    0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5051    0.0551    0.9660 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1090   -1.3308    0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4120   -2.1778   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1259   -0.9725    1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5885    2.4089    1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3878    1.0295    0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6467    2.4121   -0.4142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5013    2.1918   -1.0520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2421    2.2776   -1.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9831    1.2860   -1.9503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2822   -1.9873    0.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4728   -0.9771    0.7190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6809   -2.4359   -1.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3848   -2.6145   -0.9864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0749   -1.4906    0.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2703    0.1264    1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7657   -1.2440    2.0688 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