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
   -1.1267   -1.8143   -1.5593 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5911   -0.8715   -0.8899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9280   -0.8430   -0.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9132    0.3224    0.6316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8363    0.6026    1.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7004    1.0491    0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3876    2.1805    0.7980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8966    0.3340   -0.6006 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3903    0.7401   -1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5186    0.2784   -0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0893   -0.9471   -0.5710 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   -1.4228    0.1864 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6542   -0.6544    1.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1115    0.5610    1.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0397    1.0264    0.7081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6507   -0.5961   -1.1198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2270   -1.7695    0.2184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6965   -0.0379    1.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7755    1.4665    2.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4797    0.3271   -2.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3971    1.8553   -1.2867 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7308   -1.6044   -1.3757 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5904   -2.3936   -0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4876   -0.9808    1.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4844    1.1928    2.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5990    1.9994    0.9184 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