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
    5.9784   -0.3433   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5106   -0.6827   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1279   -1.8300    0.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5252    0.2840   -0.3509 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1474    0.1486   -0.3905 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3759    1.2899   -0.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0076    1.2653   -0.7603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6797    0.0897   -0.5225 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0241   -1.0507   -0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4215   -0.9898   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0543    0.0027   -0.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8905    0.2123    0.5129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3787    0.5019    1.6255 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3387    0.0998    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8487   -0.2046   -0.8062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2179    0.3295    1.5516 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5055   -1.2920   -0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3200   -0.0101    0.9027 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1910    0.4487   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9374    1.2572   -0.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8550    2.2474   -0.8933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5955    2.1311   -0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454   -2.0085   -0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9632   -1.8820    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886   -0.3667   -1.6490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9292   -0.2826   -0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9738   -0.4006    2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0785    1.3640    1.9602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2711    0.2018    1.2572 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