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
   -5.8813    0.7318    0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5047    0.1085    0.1966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433   -1.0278    0.6542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4324    0.8131   -0.3656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0918    0.3770   -0.4911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5649   -0.7823    0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2235   -1.1295   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416   -0.3274   -0.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1322    0.8390   -1.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1871    1.1760   -1.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9581   -0.6678   -1.0563 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8652   -0.2227   -0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4720    0.4469    0.9022 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2646   -0.5427   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7248   -1.2513   -1.2268 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2346   -0.0789    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6116   -0.1069    0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9831    1.3587    1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0579    1.3081   -0.6899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6862    1.7853   -0.7296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2132   -1.4524    0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1344   -2.0717    0.2580 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7781    1.4990   -1.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5902    2.1115   -1.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0277   -1.5912   -1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7559   -1.4875   -1.3210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9086    0.9247    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2155    0.0434    0.3391 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2576   -0.7830    1.6835 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