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
   -1.2453   -2.1274    1.1433 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7172   -1.1896    0.4240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0874   -0.6155    0.4449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8715    0.7648   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6372    1.8199    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6721    0.7085   -0.8669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3069    1.5697   -1.6991 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9617   -0.5064   -0.5687 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2762   -0.9475   -1.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4660   -0.4919   -0.4427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0545    0.7073   -0.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1767    1.1644   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7534    0.4371    0.8974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562   -0.7714    1.2339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0319   -1.2267    0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5463   -0.6509    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6771   -1.1684   -0.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5044    1.6992    0.8556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4206    2.7882   -0.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3325   -0.6176   -2.2377 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2542   -2.0560   -1.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6722    1.3505   -1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    2.1131   -0.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6375    0.8045    1.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5742   -1.3697    2.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6191   -2.1883    0.8965 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