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
    1.4319    0.1530   -2.9141 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5928    0.2535   -1.6571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938    1.2950   -0.9634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161    0.5556    0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0593    0.7042    0.8504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8543   -0.4216    0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7312   -0.9764    1.6668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0605   -0.5829   -0.6357 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0824   -1.4436   -0.7625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3514   -0.7657   -0.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4207    0.5465    0.0102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6266    1.1483    0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7882    0.4474    0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7522   -0.8755   -0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5423   -1.4545   -0.4702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2017    1.6859   -1.6106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7202    2.1013   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3354    0.1084    1.6951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7398    1.4571    0.5048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166   -1.8435   -1.7957 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0036   -2.3556   -0.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5378    1.1327    0.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6765    2.1878    0.6658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7757    0.8614    0.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7009   -1.4317   -0.2037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693   -2.4873   -0.7845 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