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
    0.9163   -1.3743    2.2567 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767   -1.0199    1.1882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9440   -0.7132    1.0462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9367    0.2987   -0.0403 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7926    1.2847   -0.2495 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7553   -0.0258   -0.8571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5524    0.3514   -2.0531 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8735   -0.8344   -0.0852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4048   -1.3884   -0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5007   -0.4536   -0.1482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8013   -0.8063   -0.4438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8730    0.0200   -0.1671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5880    1.2412    0.4306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2938    1.6096    0.7329 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2270    0.7633    0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3699   -0.3429    1.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4025   -1.6803    0.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6213    1.4229    0.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    1.9597   -1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4584   -1.5656   -1.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5954   -2.3209    0.0976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -1.7770   -0.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8969   -0.2429   -0.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3770    1.9518    0.6820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0784    2.5543    1.1948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2224    1.0880    0.6991 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