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
   -2.1745   -1.9854    0.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942   -0.9120   -0.1667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2090   -0.6440   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0621    0.5934   -1.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0173    1.2356   -0.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    2.4251   -1.0770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528    0.2844    0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5242    0.4949    1.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8270    0.1402    0.4929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9529    0.2688    1.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2064   -0.0632    0.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3640   -0.5258   -0.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2221   -0.6579   -1.3252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9879   -0.3223   -0.7959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9110   -1.3486   -1.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6230    1.0586   -2.5070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5387    1.5824    1.3105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6696   -0.0718    1.9627 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8362    0.6292    2.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1065    0.0314    1.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3510   -0.7824   -0.9146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2965   -1.0101   -2.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0815   -0.4206   -1.4114 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