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
   -1.3674    2.1588   -0.9061 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7346    1.0054   -0.5882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0683    0.6958   -0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7845   -0.4942    0.8243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4081   -0.9034    1.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -1.1391    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2847   -2.3358    0.3654 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9989   -0.2038   -0.6936 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1630   -0.3926   -1.5335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4186   -0.0503   -0.7910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9308    1.2398   -0.8095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0916    1.4707   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7454    0.4955    0.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2105   -0.7692    0.6060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0516   -1.0546   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4299    1.5331    0.6367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7919    0.4787   -0.8344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272   -1.7863    2.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2409   -0.3228    2.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2264   -1.4520   -1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0929    0.2436   -2.4405 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4125    2.0065   -1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4725    2.4871   -0.1288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.7074    1.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7187   -1.5451    1.1619 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6905   -2.0733   -0.0443 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