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
    5.8493    0.8625   -0.2691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3504    1.0431   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    2.1992    0.0885 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5144   -0.0659    0.0121 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1205   -0.0349    0.2115 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4308   -1.2574    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0778   -1.3449    0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6668   -0.1953    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0544    1.0266    0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3270    1.0833    0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0306   -0.2540    0.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8541   -0.3367   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3506   -0.3557   -1.4905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2958   -0.4017   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0370   -0.4783   -1.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8846   -0.3788    1.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1167   -0.1940   -0.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0764    1.1746   -1.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3514    1.4489    0.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9747   -1.0160   -0.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0045   -2.1809    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -2.3210    0.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6219    1.9500    0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7604    2.0549    0.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1113   -0.5282   -1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5796   -0.4928   -2.2686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9356   -0.7354    1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2398   -0.9667    1.8428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8068    0.6954    1.4912 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