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
    1.3988   -1.2333    1.9945 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478   -0.8495    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1419   -0.4460    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8667    0.5814   -0.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5873    1.6405   -0.8682 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    0.1768   -1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2418    0.5552   -2.3654 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9515   -0.7075   -0.3220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3102   -1.3491   -0.5395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4665   -0.5586   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7196   -1.0951   -0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8159   -0.3852    0.1961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7355    0.8508    0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4622    1.3605    0.9419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3444    0.6736    0.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5766   -1.3223   -0.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324   -0.0927    1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    2.3341   -1.6253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4952    1.8246   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3507   -2.3601   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4653   -1.5377   -1.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8607   -2.0870   -0.7041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8251   -0.7969    0.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6319    1.3666    1.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3563    2.3417    1.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410    1.1151    0.6611 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