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
    0.9303    1.6349   -2.2863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4136    0.9843   -1.3268 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6313    0.1992   -1.3924 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -0.3442   -0.2028 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7819    0.0323    0.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6748   -0.3124    1.9382 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8888    0.8789   -0.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    1.4890    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5087    0.6397    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3032    0.7262   -0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4279   -0.0408   -0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7797   -0.9455    0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0154   -1.0758    1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8960   -0.2842    1.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9767   -1.2360    0.1851 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2690    0.0821   -2.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001    1.7177    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5035    2.4363   -0.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0245    1.4359   -1.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0433    0.0456   -1.8641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6703   -1.5487   -0.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3037   -1.7857    1.9285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801   -0.3604    2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2756   -1.8260   -0.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6581   -1.9457    0.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8302   -0.5967    0.5046 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