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
   -1.2624   -0.7398   -2.1676 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7132   -0.5717   -0.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0872   -0.1454   -0.6148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8139    0.6292    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4770    1.6590    1.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6331   -0.0288    1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2532    0.0369    2.4065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9546   -0.7697    0.1984 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510   -1.5698    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4474   -0.7138    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   -1.2653    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7959   -0.4575   -0.1773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6886    0.8788   -0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4188    1.4147   -0.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3078    0.6313   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5381    0.4918   -1.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7314   -1.0044   -0.3369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1502    2.1049    2.0417 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323    2.0519    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2227   -2.3881   -0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3458   -1.9100    1.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8082   -2.3271    0.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7636   -0.9585   -0.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5769    1.4505   -0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3198    2.4668   -0.7492 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3005    1.0340   -0.2930 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