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
    5.9383   -0.1668    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698    0.2058   -0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1973    1.3843   -0.3698 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725   -0.7532    0.1526 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872   -0.5035    0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1782   -1.4672    0.5048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1731   -1.3143    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -0.2047   -0.2174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1407    0.7511   -0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305    0.5958   -0.5991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0573   -0.0806   -0.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8894    0.5212    0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    1.0081    1.6416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046    0.5677    0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0971    1.1366    1.2178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8602   -0.0181   -0.8800 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2269   -0.9351   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0029   -0.6186    1.1421 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5572    0.7520    0.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7676   -1.7425    0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5692   -2.3419    0.9847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8267   -2.1016    0.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2046    1.6495   -1.2051 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552    1.3705   -1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7147    1.5816    2.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1558    1.1682    1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2866   -1.0305   -0.7407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0349   -0.1048   -1.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6056    0.6909   -1.3032 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