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
   -5.9222   -0.3171   -0.3482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4888   -0.4919    0.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2113   -1.4175    0.8611 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4688    0.3471   -0.3991 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0995    0.2592   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4965   -0.7479    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411   -0.7329    0.8994 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6279    0.3220    0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0622    1.3511   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2762    1.3205   -0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870    0.3644    0.7675 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8675   -0.1843   -0.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4637   -0.7163   -1.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2848   -0.1380    0.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7010    0.4188    1.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2657   -0.7042   -0.7922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3044   -1.3396   -0.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0153    0.2581   -1.2764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4971    0.2016    0.4343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7728    1.1188   -1.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0578   -1.5989    0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3363   -1.5378    1.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6007    2.2211   -0.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518    2.1475   -1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7541    0.4632    1.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9967    0.8390    1.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340   -1.8247   -0.8219 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0241   -0.3957   -1.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980   -0.3531   -0.6137 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