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
    1.1606    2.1019   -1.5819 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5444    1.2813   -0.7070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8062    0.5454   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8677   -0.2258    0.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -0.0314    1.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654   -0.6283    2.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7956    0.9162    0.4487 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    1.3547    0.8895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6057    0.5157    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2147    0.8232   -0.8294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    0.0324   -1.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6963   -1.0518   -0.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -1.3792    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0590   -0.5873    1.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0154   -1.1285    0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5915    0.6201   -1.4502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4763    1.3457    2.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6435    2.4380    0.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9281    1.6585   -1.4281 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187    0.2953   -2.2634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5067   -1.6865   -0.9914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4399   -2.2386    1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6006   -0.8509    1.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9570   -0.5591    0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8272   -1.6759    1.6633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1878   -1.8851   -0.0650 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