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
   -0.8939   -0.5765   -2.8631 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840   -0.3974   -1.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3085   -1.2240   -0.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9521   -0.2342   -0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2116   -0.2125    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8772    0.7160    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9216    1.4580    1.2620 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8710    0.5875   -0.7389 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    1.3320   -0.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4681    0.6563   -0.0773 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2608   -0.5494    0.5579 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903   -1.1994    1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5533   -0.6463    1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7413    0.5605    0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7265    1.2148   -0.0231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0330   -1.6729   -1.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8464   -2.0653   -0.4263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8610   -0.9963   -0.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5901    0.5340    0.9638 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6302    1.4360   -1.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    2.3537   -0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2646   -0.9723    0.5039 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1003   -2.1510    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3574   -1.1509    1.8336 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7295    1.0269    0.6857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8940    2.1729   -0.5270 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