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
    5.9043   -0.5453   -0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5017   -0.0574   -0.4437 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094    0.7155   -1.3726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -0.4869    0.4259 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1416   -0.1383    0.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5157    0.6778   -0.5145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1681    0.9528   -0.4722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6375    0.4096    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0565   -0.4233    1.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2887   -0.6925    1.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076    0.6588    0.5659 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8964   -0.1647   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4192   -1.1032   -0.7749 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3494    0.0637   -0.0516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1307   -0.7421   -0.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9201    1.1809    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5887    0.3355   -0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9743   -1.0629    0.7364 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1898   -1.2035   -1.0694 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.1572    1.2179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    1.1473   -1.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3142    1.6183   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.8799    2.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6619   -1.3616    2.1217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7487   -1.5757   -1.3002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1909   -0.6075   -0.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8590    1.5676    0.3022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0843    0.8415    1.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1934    2.0327    0.7197 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