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
    5.8139   -0.5683   -0.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3155   -0.5046   -1.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8421   -0.8124   -2.1599 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5312   -0.1007    0.0403 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    0.0157    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4371    0.1704    1.2453 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0744    0.3022    1.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6596    0.2823    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0582    0.1350   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3341    0.0037   -1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0300    0.4148    0.2295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8338   -0.7037    0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2702   -1.8257    0.3996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624   -0.5150    0.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0462   -1.5588    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8476    0.8405    0.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1006   -1.6048   -0.6023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947    0.1235   -0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3018   -0.2633   -1.8103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0241    0.1430    0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0328    0.1834    2.1576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496    0.4207    2.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668    0.1115   -2.0065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8008   -0.1037   -2.0817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6044   -2.5392    0.5953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1034   -1.4590    0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4693    1.0747    1.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5324    0.9707   -0.4947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0811    1.6334    0.2837 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