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
    5.8887    0.3502    0.8246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4181    0.6463    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231    1.7500    1.0674 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5506   -0.3006    0.1311 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -0.1614   -0.0608 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4318    0.9023    0.3967 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0642    1.0157    0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6434    0.0585   -0.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0942   -1.0252   -0.9643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4401   -1.1308   -0.7534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0097    0.1699   -0.7109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9569   -0.3324    0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5264   -0.9067    1.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3844   -0.2220   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2165   -0.7231    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8843    0.4590   -1.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5084    1.1874    0.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1190   -0.5316    0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    0.1272    1.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9976   -1.2376   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818    1.6981    0.9445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4825    1.8695    0.5593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4574   -1.7827   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9943   -1.9799   -1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9192   -1.2314    1.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2765   -0.6331    0.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7946    0.0003   -1.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0280    1.5554   -1.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1125    0.4088   -2.0652 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