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
    5.9326    0.1642    0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4647   -0.0181    0.7572 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0722   -0.0765    1.9238 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5100   -0.1259   -0.2725 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1442   -0.2941   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3943   -0.3755   -1.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289   -0.5425   -1.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6760   -0.6393   -0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0225   -0.5640    1.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4028   -0.3948    0.9738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0530   -0.8079   -0.1406 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8642    0.3182   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    1.4516   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3122    0.2321   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8978   -0.9488   -0.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1318    1.4761   -0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0656    0.7691   -0.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3485    0.7205    1.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3910   -0.8373    0.3213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9478   -0.0635   -1.2586 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8929   -0.3061   -2.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5578   -0.6064   -2.2523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4624   -0.6316    1.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8961   -0.3426    1.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9751   -1.0362   -0.0844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2911   -1.8376   -0.1152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9630    1.3101    0.6216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5370    1.6963   -1.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4898    2.3104    0.2350 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