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
   -5.9621    0.3342    0.3367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4980    0.6157    0.2733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1207    1.7411    0.6480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5552   -0.3240   -0.1841 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1647   -0.1661   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4128   -1.2734   -0.7075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0459   -1.1825   -0.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6610   -0.0354   -0.5612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0665    1.0544   -0.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672    0.9739   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    0.0719   -0.6817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9356   -0.1924    0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5135   -0.5599    1.4352 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3649   -0.0562    0.1133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8286    0.3345   -1.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2987   -0.3474    1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2344   -0.4168   -0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2943   -0.0338    1.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4866    1.2690    0.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9948   -1.2571   -0.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9488   -2.2028   -0.9306 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5112   -2.0506   -1.1583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4479    1.9944    0.0808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9924    1.8525    0.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8749    0.4439   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1445    0.5493   -1.8768 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0937    0.3816    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1860   -1.3545    1.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3456   -0.1636    0.8801 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