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
    5.8510    0.4530    0.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4001    0.7228    0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0671    1.8423    0.7578 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5109   -0.3322    0.0445 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1124   -0.2482    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4314    0.9216    0.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413    0.9913    0.5704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6693   -0.1755    0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0042   -1.3597    0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3558   -1.4272    0.2130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -0.1559    0.7437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8662   -0.0519   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3156    0.0217   -1.5175 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031   -0.0260   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0562    0.0723   -1.3120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9404   -0.1105    1.0736 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0400    0.6250   -1.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4407    1.1113    0.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0489   -0.6015    0.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -1.2629   -0.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9448    1.8910    0.3862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4005    1.9684    0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5614   -2.2861    0.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819   -2.3705    0.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6134    0.1354   -2.2895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1485    0.0941   -1.2502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5557   -1.0558    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0348   -0.1065    1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5242    0.7201    1.6982 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