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
   -5.8348    1.0138   -0.5393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3811    1.1009   -0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0005    2.1565    0.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4873    0.0535   -0.4179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1024    0.0106   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206   -1.1721   -0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0775   -1.3094   -0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6428   -0.2943    0.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    0.8545    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3690    1.0093    0.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9925   -0.5094    0.5692 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -0.1628   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4546    0.3379   -1.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3141   -0.3671   -0.2445 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1781   -0.0333   -1.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8136   -0.9680    1.0311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3143    1.9898   -0.5663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3959    0.3718    0.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8613    0.5554   -1.5518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9423   -0.8039   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9436   -2.0081   -0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3979   -2.2321   -0.5009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5161    1.6613    1.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8709    1.9265    0.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346   -0.1948   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275    0.3978   -2.1093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6408   -0.2121    1.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8757   -1.2627    0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2369   -1.9093    1.2414 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