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
    1.2348    0.6814    2.6196 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    0.4124    1.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6209    1.1075    0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9233    0.1675   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0384    0.1385   -1.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7764   -0.7230   -0.5329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5859   -1.5052   -1.5074 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300   -0.5699    0.5979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3036   -1.2970    0.8169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4616   -0.5691    0.2362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7045   -1.1509    0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8367   -0.5375   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6890    0.6706   -0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4342    1.2499   -0.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049    0.6498   -0.4174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2109    2.0364    0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4994    1.3358    1.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483   -0.5872   -1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8033    0.8553   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5143   -1.4161    1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2504   -2.2800    0.3396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8170   -2.1086    0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8215   -1.0101   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5667    1.1707   -1.2029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3013    2.2070   -1.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070    1.0719   -0.5002 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