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
    1.1713    1.0696   -2.5447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4701    0.6678   -1.3748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4644    1.2935   -0.4339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8930    0.1011    0.3399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0741   -0.0776    0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -0.8294    0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6462   -1.7854    1.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -0.4747   -0.7637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -1.1579   -1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4827   -0.5508   -0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1847    0.5194   -0.9172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2342    1.0529   -0.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5954    0.5605    1.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8756   -0.5055    1.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8199   -1.0668    0.8531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811    1.7875   -0.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9418    2.0053    0.2559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3001   -0.9833    1.4888 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8194    0.6922    0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2070   -2.2249   -0.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4805   -1.0540   -2.2228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118    0.9252   -1.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8013    1.8845   -0.5632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167    0.9818    1.6303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1165   -0.9303    2.5241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2409   -1.9005    1.2253 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