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
   -5.9459    0.0527    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4977   -0.2663    0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2499   -1.4558   -0.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4900    0.6950    0.2062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1001    0.5073   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552   -0.6747   -0.5016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1762   -0.8114   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6831    0.2282   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1081    1.3863    0.0308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2302    1.5518    0.2388 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0518    0.0919   -0.6390 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9146   -0.3583    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4032   -0.6563    1.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626   -0.4975    0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1779   -0.9266    1.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8673   -0.1275   -1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4278    0.4746   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4817   -0.8113    0.8412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9377    0.8358    1.2081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7898    1.6909    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1695   -1.5294   -0.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2452   -1.7414   -1.0758 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8306    2.1966    0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6333    2.4770    0.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7489   -1.1835    2.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2215   -1.0134    0.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8703    0.3504   -1.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0104   -1.0285   -1.8906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1894    0.5434   -1.7854 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