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
    5.7684    0.2584   -1.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.0969   -1.4360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9700   -1.1747   -1.9108 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3777    0.7456   -0.8172 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954    0.5037   -0.6588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3101   -0.5899   -1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0677   -0.7306   -0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981    0.2225   -0.2328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1282    1.3484    0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2248    1.4812   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1549    0.1536    0.0085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7179   -0.3933    1.1454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8942   -0.8414    1.9789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1368   -0.4738    1.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0442   -0.0176    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5888   -1.0919    2.6856 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9969    0.9110   -0.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3837   -0.6572   -1.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9430    0.7896   -2.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825    1.6454   -0.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7951   -1.3999   -1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5990   -1.6086   -1.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.1515    0.7162 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7125    2.3968    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0892   -0.0757    0.7676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6940    0.4281   -0.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5405   -2.2093    2.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6195   -0.7921    2.9512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8625   -0.8828    3.5095 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