Monomers

N-Benzylmaleimide

Identifiers

IUPAC name
1-benzylpyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-7H,8H2
InchI Key
MKRBAPNEJMFMHU-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1Cc1ccccc1
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)CN2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.1116
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.8195   -0.4024   -2.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -0.2259   -1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3682    0.4640   -0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4307    0.4824    0.5952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2684   -0.1917    1.1513 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0122   -0.3553    2.3964 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4817   -0.6282    0.0546 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463   -1.3379    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9383   -0.4474    0.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1770   -1.0735    0.2836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3609   -0.3690    0.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2876    1.0085    0.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0524    1.6219    0.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8813    0.9111    0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282    0.9085   -1.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1993    0.9145    1.2466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1121   -2.0445   -0.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2060   -1.9879    1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2628   -2.1553    0.3115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3331   -0.8364    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1886    1.6212    0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0200    2.7210    0.1941 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0740    1.4021    0.0961 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
  7  2  1  0
 14  9  1  0
  3 15  1  0
  4 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
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers