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
    1.3999   -1.1830    2.1349 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609   -0.8051    0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1128   -0.2929    0.6650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8475    0.5231   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5754    1.5153   -1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5929    0.0131   -1.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2212    0.2979   -2.2886 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9293   -0.8078   -0.1510 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -1.4578   -0.3948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4874   -0.6187   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2905    0.6400    0.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    1.4473    0.8753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6722    0.9894    0.7138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8676   -0.2697    0.1892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7804   -1.0669   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7596   -1.1704    0.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500    0.3068    1.4878 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2647    2.0223   -1.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    1.7852   -0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -2.4167    0.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4430   -1.7496   -1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2719    0.9890    0.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    2.4334    1.2860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5408    1.5946    0.9890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751   -0.6600    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9195   -2.0588   -0.5855 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