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
   -1.3005   -1.6636    1.9439 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6385   -0.8337    1.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7038    0.1677    1.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289    0.8422   -0.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6677    0.3109   -0.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3671    0.6937   -2.0698 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9831   -0.7354   -0.2122 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1330   -1.5304   -0.6909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4299   -0.8826   -0.3297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4304    0.2935    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5964    0.9170    0.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8087    0.3366    0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7828   -0.8508   -0.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6019   -1.4791   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6643    1.9468   -0.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3731    0.3212    1.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1084   -1.5580   -1.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1141   -2.5664   -0.3110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4895    0.7804    0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6523    1.8494    1.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7593    0.7603    0.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6980   -1.3689   -0.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6011   -2.4159   -1.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680    2.9126    0.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7213    1.6710   -0.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6893    2.0817   -1.5149 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