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
    0.8938   -0.7521   -2.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2770   -0.3477   -1.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2697    0.7457   -1.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9574    0.2151   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2261    0.3606    0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9062   -0.4670    0.5256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549   -0.6889    1.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8864   -0.8015   -0.4043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3421   -1.4841   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4484   -0.6008    0.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6880   -1.1236    0.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7414   -0.2659    0.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5592    1.0974    0.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3164    1.6247    0.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2664    0.7641    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9754    0.8454   -2.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7478    1.6715   -1.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6275   -0.0557    0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8827    0.8971   -0.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -2.0935   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2066   -2.2226    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8723   -2.1704    0.5173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6910   -0.7132    1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3766    1.7342    1.1595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1877    2.6908    0.6326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2897    1.1403    0.0296 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