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
    5.8913   -0.3427   -0.6173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    0.0686   -0.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1388    0.8485   -1.5956 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -0.4220    0.2909 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1741   -0.0772    0.3045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5461    0.8669   -0.4585 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696    1.1281   -0.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6218    0.4271    0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0149   -0.5232    1.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3521   -0.7887    1.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9930    0.6539    0.6144 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8925   -0.0589   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3890   -0.8912   -0.9757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3360    0.1543   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457    1.0277    0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2266   -0.6414   -0.9586 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0711   -0.7628    0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4692    0.5992   -0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766   -1.0413   -1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9397   -1.0843    1.0268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    1.4492   -1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2882    1.8781   -0.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6090   -1.0958    1.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741   -1.5563    1.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2496    1.6374    1.4191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9151    1.1513    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0908   -1.7485   -0.8002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2831   -0.4219   -0.8294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9736   -0.4342   -2.0361 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