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
    5.9409   -0.3643    0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766   -0.6977    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445   -1.8852    0.1643 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5636    0.3475   -0.0916 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1607    0.1865   -0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3614    1.3269   -0.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0056    1.2881   -0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6390    0.0821   -0.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.0610   -0.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4811   -0.9996   -0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9993    0.0419   -0.7024 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9020    0.0967    0.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    0.1890    1.5030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122    0.0448    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7065   -0.0519   -1.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3078    0.1006    1.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1478    0.4055   -0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -1.2594    0.1577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624    0.1561    1.2262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626    1.3346   -0.1294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564    2.2977   -0.4216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5468    2.2072   -0.6887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3792   -2.0501   -0.3716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9898   -1.9240   -0.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0101   -0.0953   -2.0269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7609   -0.0904   -1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8890    0.4997    2.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1734    0.7655    0.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7548   -0.8917    1.3655 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