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
    5.9319   -0.0504   -0.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4842   -0.4188   -0.5417 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1598   -1.2983   -1.3460 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    0.2720    0.2101 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225    0.0940    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4730   -0.6931   -0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0763   -0.8488   -0.7244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6834   -0.2015    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0428    0.6026    1.1601 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3228    0.7384    1.1259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0604   -0.3776    0.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8940    0.4490   -0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3703    1.3768   -1.1662 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3266    0.2164   -0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1389    1.0119   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8932   -0.9030    0.3008 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1036    0.8343   -0.9886 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    0.2183    0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706   -0.9042   -0.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8748    1.0255    0.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9942   -1.2287   -1.5163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4259   -1.4753   -1.4533 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6583    1.0999    1.8941 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7949    1.3684    1.8643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7215    1.8216   -1.7627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2109    0.8324   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1571   -1.7776   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1317   -1.2402    1.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7700   -0.5440    0.9046 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