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
   -0.7426    0.9490   -0.8597 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8224   -0.1466   -0.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729   -0.6025    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3579   -1.7153    0.7782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3614    0.1844   -0.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120    1.5412    0.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7696    2.4776   -0.2677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1605    1.8059    1.3943 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3644   -0.8179    0.1593 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6622   -0.3814   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7145   -1.0063    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0312   -0.7050    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3588    0.2727   -0.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3608    0.9090   -1.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0172    0.5635   -1.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448   -2.3348    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3999   -2.0105    0.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2918   -0.3271   -0.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4034    0.2723   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8750    2.4949    2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2377   -1.7235    0.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4905   -1.7664    1.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7938   -1.2102    0.8834 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4042    0.5398   -0.7825 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6196    1.6613   -2.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2593    1.0759   -1.6194 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