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
   -5.8983    0.0932    0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4476    0.4922    0.5654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0766    1.6081    0.9616 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5427   -0.3941   -0.0358 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1657   -0.1654   -0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4190   -1.1765   -0.8819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0726   -1.0502   -1.1487 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5879    0.1096   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088    1.1243   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4588    0.9582    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383    0.2439   -1.0681 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9295   -0.1326   -0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001   -0.6184    0.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3219    0.0456   -0.5376 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6596    0.5578   -1.6999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3603   -0.3717    0.4515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4883    1.0088    0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0040   -0.5443    1.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2313   -0.5054   -0.1408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9714   -1.3303   -0.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9382   -2.0800   -1.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4815   -1.8435   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3963    2.0330    0.0754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9444    1.7863    0.5274 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9096    0.8545   -2.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6955    0.6786   -1.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9183   -0.4745    1.4574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    0.4270    0.5504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8227   -1.3340    0.1186 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