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
    0.7765    2.8350    0.5049 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3471    1.7350    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    1.2124    0.7803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    0.0111    0.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7436   -0.3127   -0.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6879   -1.4027   -1.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8158    0.7648   -0.6111 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3971    0.7625   -1.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5448    0.1803   -0.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3839    0.9486    0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4475    0.3876    0.8392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7048   -0.9605    0.7665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8748   -1.7364   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8150   -1.1716   -0.7037 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0469   -0.8550    0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432    1.7389    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2233    0.2413   -2.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6007    1.8384   -1.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1773    2.0124    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1101    0.9985    1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5428   -1.3899    1.3148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0731   -2.7951   -0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1542   -1.7944   -1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8469   -0.7013   -0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3624   -0.6218    1.6105 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7313   -1.9253    0.5741 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