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
    5.8733    0.4479   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3852    0.6606   -0.6557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9294    1.7488   -1.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4897   -0.3751   -0.3125 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0897   -0.3673   -0.3707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3590   -1.4130    0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058   -1.4369    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7110   -0.4338   -0.4670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160    0.5932   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3744    0.6160   -0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1000   -0.4281   -0.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8037    0.1849    0.4675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1780    0.7179    1.4127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2634    0.2522    0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9121    0.8505    1.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9892   -0.3901   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1628    0.8929    0.4313 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4234    0.9846   -1.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1350   -0.6096   -0.5233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9372   -1.2797    0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9034   -2.2068    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5718   -2.2498    0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5325    1.3888   -1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    1.4581   -1.4653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9877    0.8657    1.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3450    1.2964    2.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3294   -0.4937   -1.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8994    0.1426   -0.9193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2590   -1.4173   -0.2849 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