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
    3.6120    2.6575    3.5614 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4723    2.3111    2.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355    3.1142    2.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5838    1.0629    1.9927 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6342    0.5589    1.0945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3836    1.0954    0.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179    0.5534    0.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1605   -0.5203   -0.7608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1002   -1.0372   -0.5844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0058   -0.5396    0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0786   -1.0184   -1.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -1.9977   -1.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9239   -2.4034   -0.1082 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9800   -2.5632   -2.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7985   -3.4936   -1.7780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0903   -2.1236   -3.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4807    3.7017    3.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5539    2.0228    4.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5543    2.4582    3.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4314    0.4512    2.2061 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0087    1.9301    1.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5032    1.0041   -0.0879 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632   -1.8928   -1.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0102   -0.9691    0.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7332   -3.8258   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5254   -3.9088   -2.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607   -1.3166   -3.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4556   -2.9958   -4.2294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1157   -1.7463   -4.0400 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