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
    5.9551   -0.4652   -0.4744 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5278   -0.5246    0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2845   -1.2386    0.9953 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5025    0.2115   -0.6267 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1372    0.2349   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5571   -0.4449    0.7719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1932   -0.3287    1.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6386    0.4567    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    1.1456   -0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2921    1.0362   -1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9906    0.5291    0.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9256   -0.3189    0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4993   -1.2005   -0.7789 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3449   -0.2146    0.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7056    0.7345    1.2111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3567   -1.1409   -0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1852   -1.3816   -1.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1035    0.4671   -1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5788   -0.3546    0.4437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8510    0.7848   -1.4585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1487   -1.0700    1.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2608   -0.8733    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6907    1.7627   -1.3860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    1.5826   -1.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9928    1.4169    1.6486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7451    0.8497    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1145   -1.4134    0.5553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8156   -2.0505   -0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9001   -0.7156   -1.0658 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