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
    0.8617   -2.6715   -0.3602 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4168   -1.5757   -0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757   -1.1907   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    0.1369    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0482    0.8937   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7908    0.4999    0.8258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664    1.5523    1.4769 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251   -0.5699    0.7397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4781   -0.6133    1.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5432   -0.0610    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2361   -0.8685   -0.3896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2389   -0.3785   -1.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    0.9533   -1.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9088    1.7717   -0.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9002    1.2713    0.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743   -1.2118   -1.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5308   -1.8807   -0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1287    1.8766    0.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9196    0.5959   -0.6314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4230   -0.0254    2.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658   -1.6520    1.6636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9828   -1.9183   -0.4375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7732   -1.0296   -1.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3814    1.3618   -1.8098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1328    2.8290   -0.2248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3562    1.9044    1.2043 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