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
   -5.7990   -0.6134    1.3166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3558   -0.1974    1.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9001    0.3477    2.3629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5540   -0.4286    0.2272 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1889   -0.1045    0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819   -0.6034   -1.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   -0.3219   -1.2592 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5564    0.4803   -0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411    0.9675    0.6873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4887    0.6862    0.9232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8956    0.7699   -0.6123 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9256   -0.0083   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695   -1.0219    0.5690 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3305    0.2951   -0.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6536    1.3451   -1.0494 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3878   -0.5683    0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4662    0.2599    1.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9962   -1.2411    2.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0520   -1.1517    0.3991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0247   -0.9001   -0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0428   -1.2349   -1.7130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3062   -0.7518   -2.1370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    1.5982    1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9676    1.1152    1.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8904    1.9774   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6808    1.5902   -1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2126   -0.7065    1.3092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4326   -1.5157   -0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3796   -0.0630    0.1403 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