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
    0.9906   -2.3281   -1.2965 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4519   -1.4040   -0.5571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7384   -0.7133   -0.7307 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8852    0.1880    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    0.1457    1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5497    0.8974    2.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8169   -0.8517    0.5870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4504   -1.2285    1.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5754   -0.4357    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8745   -0.6672    0.9336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9241    0.0614    0.3998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7184    1.0439   -0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4164    1.2753   -0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3685    0.5450   -0.4116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0523    1.0740    0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4269   -0.9429   -1.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4942   -1.1674    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6894   -2.3052    0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0703   -1.4421    1.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9604   -0.1098    0.7055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5460    1.6082   -0.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193    2.0395   -1.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3346    0.7144   -0.7153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    1.7511   -0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8906    1.7415    1.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9808    0.5107    0.5876 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