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
    1.8823   -2.0655    1.0497 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -1.0551    0.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4005   -0.3102    0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4095    0.7162   -0.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1643    0.6747   -1.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8208    1.4660   -1.9863 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840   -0.4240   -0.6570 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0904   -0.8804   -1.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0283   -0.2877   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4924   -0.9045    0.8024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5362   -0.4067    1.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1112    0.7640    1.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6608    1.3956   -0.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6178    0.8771   -0.7505 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2295   -0.4885    1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2163    1.4461   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0764   -1.9853   -0.9902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0959   -0.6622   -2.1635 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0421   -1.8456    1.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -0.9102    2.4580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9452    1.1703    1.7087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1383    2.3181   -0.3363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2625    1.3977   -1.6655 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