Monomers

itaconic acid N-phenylimide

Identifiers

IUPAC name
3-(phenylcarbamoyl)but-3-enoic acid
InchI
InChI=1S/C11H11NO3/c1-8(7-10(13)14)11(15)12-9-5-3-2-4-6-9/h2-6H,1,7H2,(H,12,15)(H,13,14)
InchI Key
URGDMJNTFLLXGN-UHFFFAOYSA-N
SMILES
O=C(C(=C)CC(=O)O)Nc1ccccc1
Canonical SMILES
C=C(CC(=O)O)C(=O)NC1=CC=CC=C1
Isomeric SMILES
C=C(CC(=O)O)C(=O)NC1=CC=CC=C1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H11NO3
Heavy Atom Count
15
Molecular Weight
205.213
Exact Molecular Weight
205.0739
Valence Electrons
78
Radical Electrons
0
tPSA
66.4
MolLogP
1.656
H Bond Acceptors
2
H Bond Donors
2
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 26 26  0  0  0  0  0  0  0  0999 V2000
   -0.2197   -2.1501   -0.3556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6282   -0.9885   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1096   -0.7498   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8476   -1.8260   -0.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330    0.6408    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9416    0.9397    0.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8742    0.1335    0.1531 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3162    2.3039    0.2959 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2985    0.0757   -0.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7098   -0.0246   -0.2793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4358    1.1750   -0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7972    1.2358   -0.2913 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5039    0.0637   -0.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8478   -1.1418   -0.5052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4468   -1.1471   -0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3851   -2.7946   -0.2824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9082   -1.8153   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0414    1.2501   -0.7906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0204    1.0064    0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2045    2.5377    0.7319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.0429   -0.0718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152    2.1365   -0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3070    2.1836   -0.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5951    0.0850   -0.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3769   -2.0759   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9497   -2.0969   -0.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  2  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  8 20  1  0
  9 21  1  0
 11 22  1  0
 12 23  1  0
 13 24  1  0
 14 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers