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
    0.9881    0.3244    2.6192 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4862    0.2354    1.4671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    0.9310    0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8697    0.5627   -0.3178 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8182   -0.3814   -0.6748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6812   -0.9382   -1.7907 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9461   -0.5976    0.4257 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2245   -1.4386    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4658   -0.7332    0.1735 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5305    0.5766   -0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7464    1.1588   -0.5746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9130    0.4300   -0.4891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -0.8780   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6540   -1.4304    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771    1.0398   -1.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2768    1.6213    1.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3575   -1.8378    1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1489   -2.3472   -0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5896    1.1120   -0.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7345    2.1960   -0.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8751    0.8940   -0.7517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7842   -1.4349   -0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6440   -2.4813    0.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6241    1.8989   -1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8666    1.3269   -0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3165    0.1908   -1.8743 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