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
   -5.6123    1.9019   -0.7056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0998    1.8106   -0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4873    2.8683   -0.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4431    0.5774   -0.6736 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0389    0.3757   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6084   -0.9578   -0.4835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2603   -1.2138   -0.4298 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6712   -0.2101   -0.4982 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2455    1.0698   -0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1094    1.3823   -0.6818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0057   -0.5144   -0.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6850   -0.5689    0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9958   -0.3235    1.8019 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1032   -0.8921    0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7911   -1.1440   -0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8000   -0.9449    2.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9554    1.9526   -1.7449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9977    1.0030   -0.1601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9379    2.7799   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0778   -0.2744   -0.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -1.7787   -0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0435   -2.2619   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9337    1.9048   -0.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3984    2.4189   -0.7877 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8401   -1.3867   -0.2498 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857   -1.1060   -1.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6760   -0.2651    2.1206 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604   -0.6022    2.9765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1220   -1.9916    2.3391 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