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
    1.6405    0.5546   -2.4507 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770    0.3755   -1.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2307    0.9948   -0.6274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3622    0.5521    0.6142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2959   -0.4079    0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0764   -1.0482    1.9729 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5159   -0.4959   -0.2804 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3408   -1.3148   -0.5042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9117   -0.5988   -0.1377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    0.1718   -1.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7669    0.8442   -0.7504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2619    0.7500    0.5342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6037   -0.0053    1.4872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4405   -0.6667    1.1360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8940    1.7249   -1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1192    0.8192    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3915   -2.2273    0.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2701   -1.6550   -1.5568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339    0.2547   -2.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3032    1.4449   -1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1858    1.2872    0.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9816   -0.0845    2.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9129   -1.2696    1.8922 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