Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
   -3.9679    0.5431    0.2221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7711    0.0276    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4712   -1.3351   -0.4959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9962   -1.4173   -0.5140 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769   -2.4595   -0.8693 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971   -0.1822   -0.0838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4852    0.6755    0.2277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013    1.8702    0.6463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9881    0.0995    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777    1.0609   -0.7667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9490    1.3202   -0.6623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7182    0.6073    0.2248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1316   -0.3495    0.9968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.5997    0.8877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8613   -0.0233    0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0238    1.5468    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301   -1.5589   -1.4717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8258   -2.0719    0.2504 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0227    1.6511   -1.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    2.0791   -1.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7781    0.8028    0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215   -0.9176    1.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3369   -1.3692    1.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers