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
    1.3116   -1.9435   -1.4811 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6804   -1.1041   -0.6082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -0.5051   -0.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755    0.7016    0.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7157    1.7308    0.3123 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    0.5057    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2746    1.2178    1.9828 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174   -0.5878    0.4767 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3485   -1.1462    0.8847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4967   -0.5404    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3087    0.4614   -0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3944    1.0401   -1.3718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6604    0.5921   -1.0679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8836   -0.4087   -0.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7801   -0.9577    0.4781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7380   -1.1815   -0.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3529   -0.1572   -1.5844 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5996    1.7289   -0.3058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5507    2.5742    0.9473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -2.2689    0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4495   -0.9194    1.9868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3288    0.8406   -0.9893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2830    1.8265   -2.1037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5529    1.0168   -1.5528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8762   -0.7756    0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9671   -1.7405    1.1995 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