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
   -0.9191   -0.2892   -2.7511 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074   -0.0652   -1.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6843   -0.5248   -1.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8613   -0.0886    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022    0.6944    0.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5052    1.2737    1.6271 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7877    0.7120   -0.5826 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    1.3901   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5834    0.5046   -0.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359   -0.7883    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3928   -1.5635    0.7291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6795   -1.0490    0.7776 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9219    0.2351    0.3877 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8641    1.0079   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0469   -0.3702    0.9857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3830   -1.1365   -1.6334 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7049    1.7561   -1.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4084    2.2550    0.1040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3232   -1.1911    0.2476 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1687   -2.5719    1.0295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4967   -1.6804    1.1306 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9364    0.6523    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0974    2.0374   -0.3601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4398   -1.3956    0.8398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8703    0.3574    0.7303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7863   -0.1618    2.0419 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