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
    1.6481    2.0980   -1.2699 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0853    1.1632   -0.5397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2083    1.1927    0.3885 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3278   -0.0095    0.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2929   -0.8961    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0859   -2.1193    0.7400 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5172   -0.1576   -0.5003 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3777   -0.5940   -1.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9011   -0.3579   -0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5610    0.8548   -0.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7274    1.1020   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895    0.1636    0.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6585   -1.0613    0.9647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4736   -1.2759    0.2854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8315    2.0806    0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0824   -0.2666    1.6886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3498   -0.1639   -2.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4735   -1.7178   -1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1536    1.6094   -1.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2456    2.0453   -0.1966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2313    0.3490    1.3045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0965   -1.8142    1.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9424   -2.2245    0.4064 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