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
    0.8499    0.8682    0.9054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8259   -0.2602    0.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -1.0433    0.2704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1214   -2.2173   -0.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -0.4302    0.8465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6394    0.8602    0.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6607    1.4609    0.6076 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9091    1.4241   -0.8245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4071   -0.7264   -0.1501 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6611   -0.0736   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6595   -0.6406   -0.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9053   -0.0854   -0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1863    1.0296   -0.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2199    1.5945    0.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9429    1.0377    0.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164   -2.7624   -0.7323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0894   -2.7332   -0.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2386   -0.2518    1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1535   -1.1133    0.6469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0891    2.4099   -1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3422   -1.6930   -0.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4277   -1.5273   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6961   -0.5183   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1917    1.4453   -0.2287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4531    2.4600    1.1989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1903    1.4859    1.2799 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