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
   -1.3982   -2.3192   -0.2488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7908   -1.1024   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0775   -0.5787    0.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7059    0.8358    0.5815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2935    1.6442    1.4420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5701    1.1836   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1139    2.3440   -0.5103 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0175   -0.0266   -0.7444 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1567   -0.1256   -1.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3757   -0.2339   -0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0768    0.8832   -0.3691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2076    0.8135    0.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475   -0.4386    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9886   -1.5853    0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8668   -1.4580   -0.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4148   -1.0597    1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8228   -0.6421   -0.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1501    1.3328    2.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9325    2.6527    1.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0264   -1.0298   -2.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2629    0.7961   -2.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7200    1.8488   -0.6693 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7447    1.7207    0.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5347   -0.5250    1.4013 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3287   -2.5699    0.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3506   -2.3605   -0.6847 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