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
    1.1371    1.3449    1.9678 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6217    0.4733    1.1793 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0396    0.3750    0.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9176   -0.2778   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702   -0.1677   -1.5725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   -1.0298   -0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3630   -1.9563   -1.3273 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -0.5653    0.5657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4152   -1.0697    0.9379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5229   -0.3508    0.2565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0877    0.7704    0.8409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1221    1.4579    0.2244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6117    1.0336   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0767   -0.0719   -1.6002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0503   -0.7302   -0.9590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6014   -0.2359    1.4718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5192    1.3668    0.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6133   -0.6693   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6540    0.4294   -1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425   -2.1671    0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6185   -1.0265    2.0242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457    1.1494    1.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5626    2.3383    0.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197    1.5593   -1.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4808   -0.3791   -2.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6257   -1.6008   -1.4325 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