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
   -1.1727   -2.4807    0.5381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6021   -1.2993    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9429   -0.9524   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8759    0.5009   -0.3147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    1.2099   -1.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7201    0.9835    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4395    2.1864    0.6083 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9500   -0.1301    0.9079 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733   -0.0742    1.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -0.0477    0.8078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7101    0.0044    1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8642    0.0317    0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6726    0.0033   -0.7764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4374   -0.0486   -1.3726 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3173   -0.0742   -0.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7179   -1.1145    0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2038   -1.5266   -0.9535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5275    0.7539   -1.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5671    2.2758   -1.1864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3358   -0.9856    2.3069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3219    0.8425    2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8568    0.0264    2.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8586    0.0730    1.0446 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5728    0.0244   -1.3912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3916   -0.0673   -2.4499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577   -0.1150   -1.0583 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