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
    0.5475   -2.6478   -1.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1477   -1.6857   -0.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387   -1.1207   -1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9134   -0.4315    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1802   -0.0920    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7481   -0.1863    0.8735 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7186    0.5917    1.8806 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6634   -0.9755    0.3580 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606   -0.9848    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5459    0.0349    0.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8298    0.1494    0.8346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6962    1.0899    0.3318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2372    1.9290   -0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9583    1.8175   -1.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0899    0.8698   -0.6056 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1700   -1.8830   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3379   -0.3758   -2.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9405   -0.3277   -0.3778 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4159    0.4012    1.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6006   -0.8003    2.0508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0729   -2.0217    0.8449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247   -0.5068    1.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7214    1.1863    0.6914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9229    2.6879   -1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6022    2.4796   -1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0595    0.8022   -0.9946 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