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
    1.0682   -2.1316    1.4805 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5044   -1.2247    0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7514   -0.4741    0.8759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8699    0.4100   -0.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    0.3026   -1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5004    0.9700   -2.0378 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8806   -0.7084   -0.4729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3740   -1.2175   -0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5425   -0.5295   -0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4272    0.5254    0.4595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5608    1.1500    0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8218    0.7195    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9482   -0.3354   -0.3357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8028   -0.9318   -0.7854 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0494    1.3109   -0.2273 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4382   -0.6439    1.6925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4734   -2.3055   -0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4087   -1.1674   -2.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4688    0.9054    0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5071    1.9961    1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7024    1.2260    0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9287   -0.6510   -0.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9363   -1.7690   -1.4776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8147    0.8136   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967    2.2607   -0.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5071    1.4997    0.7627 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