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
   -1.6450   -2.4185   -0.6257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7363   -1.2175   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6784   -0.7631    0.8133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8469    0.6933    0.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8432    1.4449    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    1.0601   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826    2.2715   -0.4991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0179   -0.0982   -0.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1680   -0.1254   -1.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146   -0.1403   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0627    1.0120   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2217    1.0035    0.3578 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7735   -0.2054    0.7376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1502   -1.3727    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -1.3356   -0.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6687   -1.2614    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2103   -0.9069    1.7883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8962    2.4852    0.6736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247    1.0194    1.5191 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385   -1.0203   -2.2733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1942    0.7534   -2.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192    1.9590   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7246    1.9202    0.6653 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6846   -0.1795    1.3258 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5876   -2.3168    0.6579 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5155   -2.2608   -0.6822 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