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
   -5.7841   -0.2690   -0.2460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3307   -0.3983    0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0730   -0.7136    1.3072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3909   -0.1498   -0.8885 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0062   -0.2402   -0.6906 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1550    0.4385   -1.5821 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2020    0.3471   -1.4234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7257   -0.4043   -0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1088   -1.0563    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4795   -0.9854    0.3253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1201   -0.5102   -0.2181 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7417    0.4246    0.5951 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122    1.3245    1.1314 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1772    0.4095    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7078    1.3185    1.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9799   -0.6623    0.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9614    0.7285   -0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4453   -0.4173    0.6175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0011   -1.0564   -0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103    0.1177   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6078    1.0236   -2.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746    0.8735   -2.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3183   -1.6434    1.2591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1081   -1.5541    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0938    2.0695    2.0741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7626    1.3040    1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8715   -0.9447    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3405   -1.5567    0.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2343   -0.3004   -0.8278 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