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
    0.9662    2.1767   -1.4713 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5416    1.1306   -1.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9701    1.0197   -0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9234   -0.0508    0.3346 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040   -0.2610    1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7719   -0.8877   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5716   -2.0764    0.3204 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9277   -0.1437   -0.9289 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044   -0.6236   -1.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4811   -0.3389   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969   -1.2454    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9903   -1.0134    1.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6596    0.1941    0.9239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2608    1.1157   -0.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663    0.8501   -0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3723    1.9717   -0.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5520    0.6642   -1.5543 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5119    0.4060    1.5712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5490   -1.0960    2.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830   -1.7111   -1.7298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5058   -0.1515   -2.5171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3877   -2.2002    0.4418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3233   -1.7246    1.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5114    0.3552    1.5761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7938    2.0317   -0.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8972    1.6084   -1.5440 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