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
   -1.0311    0.1260   -2.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5584    0.3476   -1.3925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9837    0.1410   -1.0305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9190   -0.0933    0.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8108   -0.7757    1.1114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7077    0.5708    0.8839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4655    0.8511    2.1079 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8924    0.8306   -0.2427 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4091    1.4840   -0.2169 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4943    0.5071   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3002   -0.8430    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3446   -1.7319    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6315   -1.2831    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8511    0.0881    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7896    0.9740   -0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6221    0.9912   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3038   -0.7952   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7111   -0.9190    2.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6746   -1.2222    0.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4845    2.2301    0.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    2.0133   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3025   -1.2203    0.0375 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1743   -2.8015    0.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4335   -1.9739    0.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8649    0.4774    0.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0364    2.0269   -0.0900 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