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
    5.6803   -1.4768    0.9527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522   -1.2595    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0807   -1.8662   -0.7445 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4219   -0.3742    0.8545 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403   -0.0498    0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5957   -0.4804   -0.8093 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3068   -0.1103   -1.1924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4575    0.7011   -0.3886 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    1.1511    0.8061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    0.7734    1.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7404    1.0634   -0.7786 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8631    0.3475   -0.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6524   -0.6536    0.3353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2078    0.6985   -0.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5125    1.7210   -1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3384   -0.1633   -0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4985   -0.9327    0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9606   -2.5621    0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5812   -1.1551    2.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7440    0.1030    1.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1594   -1.1211   -1.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0504   -0.4952   -2.1484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5560    1.7859    1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6990    1.1363    2.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7367    2.3654   -1.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5262    1.9382   -1.7979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0331    0.4465    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9735   -1.0356    0.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9431   -0.4955   -1.1477 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