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
   -1.1864   -1.4654    1.9975 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6126   -0.7617    1.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8576   -1.0481    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8634   -0.1024   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7295   -0.1276   -1.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7533    0.8146   -0.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5193    1.8138   -1.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0026    0.4090    0.5416 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1644    1.0163    1.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4263    0.4907    0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6039    1.0126    1.0489 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8144    0.5669    0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7981   -0.4009   -0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6115   -0.9248   -0.9183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4087   -0.4778   -0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8771   -2.1185   -0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7736   -0.8671    0.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5115   -0.8655   -1.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6708    0.6006   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1063    2.1230    0.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.8360    2.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    1.7860    1.8341 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7121    0.9962    0.9715 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7552   -0.7373   -0.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -1.6793   -1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861   -0.8893   -0.8212 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