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
    5.8725   -0.7648   -0.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3685   -0.9512   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680   -2.1255   -0.1010 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5349    0.1569   -0.0118 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1481    0.1099    0.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    1.2779    0.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1465    1.2927    0.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5904    0.1544    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0536   -0.9939    0.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4379   -1.0404   -0.0795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9586    0.1114    0.6093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8801    0.3666   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4692    0.6762   -1.5081 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2889    0.2815   -0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6839   -0.0427    1.1486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2921    0.5539   -1.0896 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3512   -1.3281    0.5013 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1109    0.2978   -0.2620 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0869   -1.2190   -1.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0177    1.1036   -0.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0839    2.1833    0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858    2.2137    0.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5273   -1.8992   -0.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479   -1.9819   -0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7322   -0.1217    1.4300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9847   -0.2589    1.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7030   -0.3663   -1.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8811    1.1639   -1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1474    1.1500   -0.6973 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