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
   -0.8189   -0.8238   -0.9671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8052    0.2348   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0544    0.9260   -0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1921    2.0286    0.6800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3070    0.2823   -0.5578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4180   -1.0490    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5686   -1.4377    0.8808 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4853   -1.8830   -0.2964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4029    0.7563    0.1796 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6914    0.1970   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7398    0.6819    0.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180    0.1947    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3069   -0.7734   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2871   -1.2589   -1.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9820   -0.7650   -0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3456    2.5286    1.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1650    2.4868    0.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1717    0.9075   -0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2046    0.1857   -1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5788   -2.7933    0.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3470    1.6654    0.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    1.4398    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8352    0.5822    1.2266 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3177   -1.1368   -0.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4714   -2.0119   -1.8695 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162   -1.1648   -1.6076 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