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
   -0.1882   -1.8849   -0.3589 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5704   -0.7074   -0.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0167   -0.4285   -0.2464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8357   -1.4389   -0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5711    0.9204   -0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0495    0.8720   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6085    0.7880   -1.2709 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8766    0.9175    0.9674 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3879    0.2878    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7956    0.1587    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822    1.3214    0.1405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9427    1.2837    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6047    0.0745    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8889   -1.1003    0.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5069   -1.0112    0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4762   -2.4604   -0.5799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9048   -1.2937   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2195    1.5461   -0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2617    1.3568    0.9145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6892    0.2857    1.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0142    1.2691    0.1240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0653    2.2775    0.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5514    2.1893    0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6689   -0.0016    0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3306   -2.0695    0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9570   -1.9407    0.0246 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