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
   -0.0107   -2.1079    0.6828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865   -1.0050    0.3536 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9775   -0.8907    0.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508   -1.9571    0.5435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5416    0.3780   -0.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878    0.4972   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8275   -0.3751    0.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5178    1.7592   -0.5757 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2670    0.1325    0.0600 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6738    0.1725    0.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3176    1.4223    0.1158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6769    1.5858    0.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4544    0.4484    0.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8602   -0.7862    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4889   -0.9281    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7050   -2.1000    0.5454 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0717   -2.8738    0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968    1.1637    0.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0404    0.6803   -1.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4620    1.9563   -0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2095    1.0538   -0.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7231    2.3268    0.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436    2.5705    0.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5448    0.5353    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4503   -1.7098    0.0947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0636   -1.9488    0.0547 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