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
   -1.3002   -1.8491   -1.5378 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6487   -1.1337   -0.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396   -0.6010   -0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8990    0.5236    0.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537    1.5334    0.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413    0.3285    1.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2820    0.9514    2.2610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8999   -0.6780    0.5525 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017   -1.1960    0.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5006   -0.4509    0.2533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894   -0.8615    0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8782   -0.2356   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6792    0.8369   -0.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    1.2443   -1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3065    0.6250   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4802   -0.3107   -1.3867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6954   -1.3622    0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6623    1.5700    0.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5597    2.2950    1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326   -2.2653    0.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5450   -1.0985    1.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -1.7134    1.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9098   -0.5568    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345    1.3566   -1.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2116    2.0993   -1.7855 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2723    0.9486   -0.7837 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