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
    1.1304    1.7306    2.0367 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4249    1.0259    1.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4155    1.4003   -0.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9608    0.0800   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2035   -0.1945   -0.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571   -0.8597   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685   -1.9877   -0.8070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9194   -0.2477    0.6505 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3339   -0.8081    1.1046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637   -0.4583    0.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3290    0.3186   -0.8930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4081    0.6386   -1.7058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6524    0.1669   -1.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8112   -0.6073   -0.2686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7190   -0.9247    0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1946    2.0834    0.3822 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9149    1.8214   -0.9073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5095   -1.1795   -1.0931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9483    0.5862   -0.9043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4719   -0.4613    2.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2403   -1.9311    1.1222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3689    0.7134   -1.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2614    1.2578   -2.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5264    0.3837   -1.9762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7766   -1.0062    0.0324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -1.5405    1.4175 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