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
   -3.8429   -0.0514    0.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7016    0.0345   -0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4494    0.0291   -1.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -0.3327   -1.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4287   -0.8107   -2.5308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3887   -0.0717   -0.2896 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    0.1567    0.6547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378    0.4290    1.9001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9851   -0.0220    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7763    0.9230   -0.5454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1313    0.9849   -0.2236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6185    0.0834    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8352   -0.8769    1.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4851   -0.9176    0.9639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8573   -0.0317    1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7529   -0.1390    0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6582    1.0508   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0843   -0.7028   -2.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4222    1.6459   -1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7520    1.7485   -0.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6782    0.1216    0.9511 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2607   -1.5733    2.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8885   -1.6774    1.4552 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