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
   -5.9773   -0.1481    0.0373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5106   -0.4039   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1896   -1.0742   -1.1339 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5359    0.0881    0.7227 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1375   -0.0849    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3150    0.4796    1.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0512    0.3605    1.6332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7030   -0.3232    0.6622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0722   -0.8915   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4749   -0.7759   -0.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0651   -0.4964    0.5789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    0.3575   -0.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4237    1.3472   -0.6359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626    0.1537   -0.1566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8953   -0.8956    0.4305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088    1.1265   -0.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5868   -0.8991   -0.5005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2551   -0.2144    1.1168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1717    0.8799   -0.2884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9066    0.6606    1.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011    1.0392    2.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108    0.8186    2.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3730   -1.4589   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0179   -1.2426   -1.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9551   -1.0825    0.3985 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2641   -1.5893    0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1101    0.6887   -1.3239 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4430    1.9694   -0.1774 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587    1.6108   -1.6727 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