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
    0.7669   -2.7187   -0.6018 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3649   -1.6337   -0.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6268   -1.3784    0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8914   -0.0779    0.2884 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7936    0.5893   -0.3992 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7299    1.8272   -0.5734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8450   -0.3787   -0.8204 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3853   -0.1485   -1.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5318    0.0751   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4019    0.0590    0.7453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4991    0.2725    1.5523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7507    0.5067    0.9760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8813    0.5229   -0.3970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7662    0.3061   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1041    0.5635    0.8936 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2453   -2.1510    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6403   -1.0729   -2.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3252    0.7422   -2.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4447   -0.1199    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4669    0.2731    2.6211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6220    0.6761    1.5857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8448    0.7031   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9274    0.3300   -2.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8106   -0.2146    1.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7718    1.2125    1.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5374    1.2352    0.1147 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