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
    1.3214    0.0445    2.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5672   -0.1004    1.4770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5178   -1.0934    0.9394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9200   -0.5381   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0051   -0.8022   -1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190    0.3694   -0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6805    0.8157   -1.9268 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0102    0.6261    0.3871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1512    1.4588    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4075    0.7190    0.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4143   -0.6262   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6088   -1.2310   -0.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8177   -0.5341   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7684    0.8148   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5811    1.4481    0.1738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215   -2.1036    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4754   -1.1178    1.5337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7347   -1.4878   -0.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1596   -0.3275   -2.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2738    1.8942    1.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    2.3329   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5003   -1.1677   -0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867   -2.2864   -0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7628   -0.9983   -0.5883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6789    1.4002   -0.0633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5718    2.4906    0.3991 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