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
   -5.8880    0.3444   -0.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4735    0.5869   -0.3221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1856    1.6307    0.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4970   -0.3956   -0.5800 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1421   -0.3134   -0.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4807    0.8001    0.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1677    0.7403    0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5303   -0.4287    0.5357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0921   -1.5744    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4178   -1.5101   -0.2598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799   -0.4747    0.9090 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091   -0.2600    0.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6600   -0.0056   -1.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -0.3137    0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6347   -0.5759    1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4187   -0.0745   -0.5212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1184   -0.7388   -0.8060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5709    0.8253   -0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0277    0.8216   -1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8120   -1.2719   -1.1150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0295    1.7582    0.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151    1.6520    0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4554   -2.5345    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8844   -2.4256   -0.5965 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8448   -0.7490    2.4120 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6621   -0.6148    2.0071 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429    0.7900   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1133   -0.9624   -0.5491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927    0.1198   -1.5257 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