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
   -5.8428    0.7915    0.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3965    0.7881   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9839    1.5701   -1.1374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5142   -0.1226    0.3343 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1381   -0.2862    0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4886    0.2819   -0.9932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1241    0.1045   -1.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6130   -0.6572   -0.3504 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029   -1.2469    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3438   -1.0655    0.9290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9716   -0.8381   -0.5589 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8448    0.0678    0.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3822    1.0224    0.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692   -0.1140   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7417   -1.1004   -0.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2149    0.8498    0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3493    0.0283   -0.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2817    1.8041    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8274    0.5431    1.2507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9311   -0.7726    1.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0186    0.9029   -1.7342 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3335    0.5959   -2.0874 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6213   -1.8425    1.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8449   -1.5233    1.7741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0350   -1.8047   -1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7726   -1.2835   -1.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2661    0.4876    0.3773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149    1.8098   -0.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9013    1.0098    1.4810 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