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
   -1.7065    2.3289   -0.8627 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739    1.2642   -0.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593    1.2126    0.6979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2668   -0.0437    1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2736   -0.8806    0.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1146   -2.1063    0.5457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5244   -0.0340   -0.4692 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4375   -0.4023   -1.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8517   -0.2855   -0.6252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9522    0.1095    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1513    0.2198    1.3533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3123   -0.0922    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2375   -0.5015   -0.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177   -0.5969   -1.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7738    2.0586    1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9883   -0.4084    1.8200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3730    0.3285   -2.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5613   -1.3936   -1.8086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0532    0.3535    1.2071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2238    0.5323    2.3764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511   -0.0124    1.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823   -0.7292   -1.1363 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0200   -0.9213   -2.3462 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