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
   -1.1013    0.2102    2.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6691   -0.0046    1.5011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0814    0.3243    1.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9173    0.5615   -0.3478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6455    1.3670   -1.0864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8020   -0.2746   -0.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706   -0.6261   -1.9553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0169   -0.6336    0.3863 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1595   -1.4388    0.4329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4124   -0.6788    0.2766 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5999   -1.3800    0.3095 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8275   -0.7412    0.1699 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746    0.6187   -0.0056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6937    1.3205   -0.0389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4796    0.6827    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4784    1.1813    1.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6560   -0.6234    1.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470    1.9287   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4662    1.4881   -2.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0925   -2.1928   -0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566   -2.0397    1.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6202   -2.4534    0.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7397   -1.3443    0.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8372    1.1065   -0.1134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7185    2.3849   -0.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5399    1.2567    0.0714 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