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
    0.8342    0.3783    2.7388 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4066    0.3118    1.6109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5795    1.0081    1.1429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8094    0.6238   -0.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8046   -0.3449   -0.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7844   -0.8796   -1.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9196   -0.5353    0.5703 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2052   -1.4129    0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4488   -0.8042    0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5990   -1.5516    0.0461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8127   -1.0258   -0.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8425    0.3011   -0.7475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6978    1.0657   -0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029    0.5170   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9575    1.1502   -0.9036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1599    1.7277    1.7413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0263   -2.3269   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -1.8265    1.5907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6303   -2.6065    0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7220   -1.5910   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7717    0.7579   -1.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7298    2.1071   -0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6407    1.1729   -0.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8218    1.2648   -0.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6625    2.1236   -1.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2082    0.3952   -1.6672 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