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
    1.4148   -0.6663   -2.2655 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7080   -0.7418   -1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0851   -0.6450   -0.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8131   -0.0820    0.8606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6282    0.6716    1.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4739   -0.5232    1.2291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004   -0.5381    2.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7947   -0.9326    0.0271 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5438   -1.4342   -0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5338   -0.3566   -0.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8703   -0.6846   -0.3639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8202    0.3138   -0.5558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4457    1.6491   -0.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1080    1.9682   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1684    0.9638   -0.3532 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7559   -0.0233   -1.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4678   -1.6903   -0.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786    1.0528    2.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6018    0.9280    1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814   -1.9595    0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6724   -2.1697   -0.8921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1726   -1.7185   -0.2940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8621    0.0353   -0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2233    2.3740   -0.7958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8002    3.0060   -0.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1203    1.2031   -0.2714 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