Monomers

1-benzyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-benzyl-3-methylpyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InchI Key
KOQFJKQRPZRORH-UHFFFAOYSA-N
SMILES
O=C1C=C(C(=O)N1Cc1ccccc1)C
Canonical SMILES
CC1=CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
CC1=CC(=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
   -1.2913   -1.9890    1.5581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6051   -1.1731    0.6544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -0.4395    0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8916    0.3294   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6524    0.1341   -1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043    0.7032   -2.2547 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344   -0.8121   -0.4845 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688   -1.3265   -0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5643   -0.5360   -0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587   -0.9398   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9539   -0.2474    0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7671    0.8790    0.7832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4788    1.2942    1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067    0.5916    0.5333 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0167    1.2427   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6681   -0.5022    1.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6353   -1.4051   -1.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5419   -2.3579   -0.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0824   -1.8125   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9767   -0.5475   -0.1767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160    1.4426    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    2.1828    1.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048    0.9321    0.7470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8950    2.2367   -0.3370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9619    0.8154   -0.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1418    1.3046   -1.9139 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  4 15  1  0
  7  2  1  0
 14  9  1  0
  3 16  1  0
  8 17  1  0
  8 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers