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
    0.9225   -0.6599    2.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4414   -0.4111    1.4063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6281   -1.0171    0.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8325   -0.4769   -0.3779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7996    0.5032   -0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6435    1.2309   -1.6421 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9160    0.5557    0.4893 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2560    1.3930    0.6719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4856    0.7373    0.1649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9150    0.8920   -1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0618    0.2797   -1.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8273   -0.5165   -0.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4141   -0.6824    0.5159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2636   -0.0668    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9572   -0.8270   -1.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2536   -1.7948    1.2742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3481    1.6291    1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1006    2.4013    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3232    1.5140   -1.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4112    0.3945   -2.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7246   -0.9901   -1.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0263   -1.3174    1.1676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -0.2076    2.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783   -1.8104   -1.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7457   -0.0534   -1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5895   -0.6994   -2.3593 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