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
    5.8773   -0.2196   -1.0786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3773    0.0221   -1.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9515    0.8441   -2.0074 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4862   -0.6594   -0.3291 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0829   -0.5213   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3593   -1.2614    0.6320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0128   -1.1862    0.7078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7643   -0.3922   -0.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0721    0.3373   -1.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3274    0.2629   -1.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1442   -0.3692    0.0076 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7617    0.5365    0.8435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0069    1.3258    1.4615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2090    0.5235    0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8797   -0.3648    0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9511    1.4679    1.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    0.5431   -0.3885 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2570   -0.0792   -2.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0584   -1.2518   -0.7341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9640   -1.3425    0.3543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9306   -1.8998    1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592   -1.7734    1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378    0.9621   -1.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    0.8495   -1.8892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3667   -1.0786   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9556   -0.3748    0.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8409    1.8298    1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2695    0.9193    2.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3268    2.3504    2.0755 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