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
   -1.7068   -2.4633   -0.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1070   -1.2875    0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2183   -0.9429    0.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3358    0.3761    1.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3069    0.9627    0.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1542    2.1948    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5341   -0.0750   -0.4134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4097    0.0366   -1.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865    0.1175   -0.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5978   -1.0259   -0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8119   -1.0114    0.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3584    0.2000    0.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6723    1.3729    0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4506    1.3169   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8325   -1.6648    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1005    0.9022    1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5066    0.9408   -1.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4652   -0.8356   -2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1760   -1.9735   -0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3482   -1.9232    0.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3190    0.1982    1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032    2.3280    0.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537    2.2562   -0.4496 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