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
   -0.9905   -2.3682   -1.0697 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4788   -1.2604   -0.7210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8022   -1.1408   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9361    0.3121    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9979    0.8862    0.6616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7147    0.9705   -0.3703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376    2.2025   -0.3174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8325   -0.0153   -0.8815 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000    0.2034   -1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529    0.1472   -0.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9639    1.2649    0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9656    1.1883    1.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5488   -0.0110    1.5102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1557   -1.1345    0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1531   -1.0574   -0.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5549   -1.4597   -0.8688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9067   -1.7209    0.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0567    1.9601    0.8010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8278    0.2986    0.9783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4650    1.1810   -1.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6796   -0.5557   -2.2833 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    2.2077    0.0386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2979    2.0595    1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369   -0.0866    2.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6187   -2.0911    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8860   -1.9805   -0.6345 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