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
    5.9396   -0.5215   -0.5914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5121   -0.6085   -0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2006   -1.4627    0.7758 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5198    0.2648   -0.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1612    0.2918   -0.1806 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3482    1.2548   -0.7988 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056    1.3801   -0.5063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6004    0.5718    0.4012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1889   -0.3838    1.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5395   -0.4999    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427    0.6407    0.7442 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9159   -0.0805    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.8182   -0.8608 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313   -0.0156    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7815    0.7405    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3010   -0.8305   -0.3385 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9249    0.0736   -1.5084 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1915   -1.5713   -0.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6033   -0.0967    0.1687 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    0.9615   -1.2985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7772    1.9334   -1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191    2.1320   -0.9921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2726   -1.0342    1.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0646   -1.2687    1.2477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8269    0.7644    1.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0947    1.3395    1.9883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9583   -1.8896   -0.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2902   -0.8734    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3766   -0.3940   -1.3525 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