Monomers

1-Benzyl-3-methylenepyrrolidine-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InchI Key
OGHZHVONWMXUPW-UHFFFAOYSA-N
SMILES
O=C1CC(=C)C(=O)N1Cc1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.5017
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    1.2648   -2.1461    1.1391 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325   -1.1444    0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0711   -0.5541    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7889    0.8950    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4467    1.9131    0.8722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6564    0.8579   -0.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362    1.8318   -1.2843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0041   -0.4059   -0.4438 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1754   -0.8473   -1.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4232   -0.5067   -0.4697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0061    0.7164   -0.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1698    1.0318   -0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7510    0.1619    0.8739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1633   -1.0603    1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956   -1.3721    0.4344 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5173   -0.6906    1.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7541   -0.8798   -0.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1653    2.9134    0.5973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2590    1.7716    1.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -0.3617   -2.2105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1073   -1.9505   -1.3207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5954    1.4306   -1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6127    1.9888   -0.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6741    0.4841    1.3748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6073   -1.7453    1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5597   -2.3315    0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  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
  8  2  1  0
 15 10  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  5 19  1  0
  9 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