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
    5.9214    0.2224   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4422    0.5133   -0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0752    1.5509   -1.2779 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4702   -0.3839   -0.1932 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648   -0.2464   -0.2837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3811    0.7998   -0.8158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138    0.8025   -0.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7238   -0.2410   -0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0523   -1.3095    0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3104   -1.2964    0.2228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1089   -0.2814   -0.3463 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8081    0.2346    0.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1801    0.7310    1.6961 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2609    0.2214    0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9215    0.7134    1.8087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9989   -0.3663   -0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0888   -0.1460    0.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4498    1.1783   -0.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2637   -0.5084   -1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8835   -1.2437    0.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9099    1.6394   -1.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5120    1.6796   -1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5873   -2.1760    0.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8079   -2.1420    0.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9995    0.6776    1.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3981    1.1531    2.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0127    0.0555   -0.4656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0522   -1.4821   -0.2088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4388   -0.1055   -1.2855 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