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
    3.9597    0.7461   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6505    0.8411   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8988    1.7133   -1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894    0.9053   -1.4034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0024    0.8202   -2.4758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3847    0.1905   -0.2138 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5822    0.1463    0.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7174   -0.4116    1.6862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9000   -0.3698    0.1396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0041   -1.6926    0.4792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -2.2117    0.8114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3988   -1.4471    0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2838   -0.1044    0.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0426    0.3922    0.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525    0.1062    0.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    1.3600   -0.6518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5440    2.6548   -0.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    1.8813   -2.0540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365   -2.3351    0.4937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3795   -3.2646    1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3765   -1.8581    1.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886    0.5066    0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9734    1.4313   -0.1226 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