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
    5.9188    0.0323   -0.1758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4595    0.3529    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2546    1.2539    0.8742 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4590   -0.3177   -0.6842 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -0.0554   -0.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1832   -0.5732   -1.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1684   -0.3770   -1.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7122    0.3488   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1374    0.8620    0.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5084    0.6556    0.4899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0939    0.5177   -0.2917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8334   -0.4208    0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2544   -1.3897    0.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2759   -0.2958    0.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9657   -1.2074    1.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9649    0.8500   -0.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266    0.8790   -0.7648 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9971   -0.9378   -0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3741   -0.0430    0.8331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7769   -1.0610   -1.3769 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214   -1.1436   -2.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8537   -0.7890   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2471    1.4288    1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534    1.0852    1.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0610   -1.1362    1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4344   -2.0269    1.5774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9342    0.5689   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1560    1.6377    0.5783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3066    1.3017   -0.9664 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