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
    5.9719   -0.0230    0.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5175   -0.3127   -0.1886 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2023   -0.8837   -1.2557 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5071    0.0499    0.7232 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1116   -0.1549    0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2672    0.1643    1.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915    0.0020    1.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6731   -0.4905    0.4572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -0.8148   -0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4671   -0.6377   -0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0545   -0.6710    0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928    0.3513   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2944    1.4222   -0.4317 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3232    0.1938   -0.2272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9037   -0.9284    0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1394    1.3119   -0.7311 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4606    0.1962   -0.8754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0925    0.8595    0.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4113   -0.9437    0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718    0.5348    1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7404    0.5552    2.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7577    0.2387    2.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2996   -1.2015   -1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0496   -0.8982   -1.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9681   -1.1076    0.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3097   -1.7518    0.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2664    2.0269    0.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1681    1.0159   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6242    1.8971   -1.5290 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