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
    0.4363   -2.8324   -0.3106 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1472   -1.8061   -0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3882   -1.6750    0.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8098   -0.4238    0.5368 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8652    0.3316   -0.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9219    1.5463   -0.5731 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125   -0.5436   -0.7029 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3320   -0.2081   -1.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787    0.2263   -0.7461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6493    0.5830   -1.3636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7632    1.0033   -0.6345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6911    1.0625    0.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5077    0.7012    1.3347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    0.2829    0.6197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0403    0.1051    1.1748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8488   -2.5056    1.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6127   -1.1589   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0459    0.5143   -2.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7791    0.5604   -2.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737    1.2792   -1.1395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5521    1.3886    1.3064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4893    0.7619    2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4875    0.0104    1.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4405    1.0002    0.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8727   -0.6346    1.1536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8764    0.4308    2.2179 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