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
   -0.7385    0.8147   -2.4768 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4615    0.5604   -1.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7891    1.1369   -1.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8032    0.9587    0.3756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5162    1.6785    1.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8913   -0.1402    0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8687   -0.7507    1.7655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0574   -0.3864   -0.4828 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0323   -1.3924   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2905   -0.9308   -0.1563 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600   -1.7945   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6381   -1.3851    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8309   -0.0937    0.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441    0.7515    0.6834 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4832    0.3576    0.2915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5487    0.4428   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9082    2.1747   -1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1585    2.4694    0.8767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4429    1.4560    2.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3445   -2.2407    0.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -1.8509   -1.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2702   -2.8152   -0.5436 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4729   -2.0722    0.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8311    0.1989    0.9517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9175    1.7600    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6946    1.0925    0.3563 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