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
   -0.9079    2.9021    0.7412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3557    1.7886    0.3666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4566    1.6471   -0.6327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8768    0.2266   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9683   -0.3225   -1.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410   -0.4272    0.2566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7842   -1.6821    0.4249 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9268    0.5090    0.7963 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2352    0.1864    1.6377 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4050   -0.0358    0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6779   -1.2971    0.3091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -1.5364   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059   -0.5050   -0.8493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3506    0.7681   -0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2471    0.9911    0.4241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2686    2.3598   -0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0168    1.8018   -1.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2277   -1.3456   -0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6595    0.3006   -1.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0006   -0.6974    2.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942    1.0299    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465   -2.1246    0.5621 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0102   -2.5145   -0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4712   -0.6770   -1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0045    1.5652   -0.6647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0551    1.9903    0.7792 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