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
   -0.9005    1.3958   -2.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4140    0.7247   -1.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6962    0.9367   -0.8117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8553   -0.0040    0.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029   -0.8774    0.1173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5361   -1.8696    0.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7891   -0.4298   -0.8773 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4935   -1.0114   -1.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5951   -0.4142   -0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2417    0.6984   -0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2668    1.2834   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6540    0.7512    1.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0223   -0.3632    1.5509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9989   -0.9205    0.8043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0498   -0.1263    1.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4109    1.7295   -1.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4658   -2.1157   -1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7245   -0.8737   -2.3019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9569    1.1263   -1.8451 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7701    2.1570   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4551    1.2118    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3226   -0.7888    2.5153 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4804   -1.7944    1.1745 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6489   -1.0205    0.7236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7196    0.7454    0.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7245   -0.1505    2.0569 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