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
    1.7092   -2.2713    0.5325 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050   -1.1236    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9004   -0.1974    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6967    0.9237   -0.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4936    0.8194   -1.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0545    1.7284   -1.9254 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535   -0.4622   -0.9024 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390   -1.0255   -1.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494   -0.7238   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3914    0.0150    0.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5083    0.2929    1.2995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7456   -0.1801    0.8995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8258   -0.9216   -0.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888   -1.1889   -1.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6018    2.1062   -0.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7396   -0.3516    1.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1971   -2.1398   -1.5354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3915   -0.6648   -2.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3976    0.3714    0.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3903    0.8877    2.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6052    0.0371    1.4938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7831   -1.3164   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8110   -1.7735   -1.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0654    3.0334   -0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4287    1.9090   -1.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9757    2.2165    0.7260 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