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
   -1.7621   -2.1286    1.2887 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0815   -1.0827    0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2461   -0.2571    1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3317    0.7741    0.1859 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2184    0.6742   -0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9704    1.4685   -1.6805 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4412   -0.4980   -0.4405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2578   -0.9715   -1.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9505   -0.3658   -0.4737 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6111   -0.9597    0.5767 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231   -0.3602    1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2018    0.8434    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5395    1.4425   -0.3931 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4332    0.8421   -0.9468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9352   -0.4589    1.8264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1056    1.5531    0.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2530   -0.7233   -2.1895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2285   -2.0772   -1.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2338   -1.9077    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2616   -0.8100    1.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0867    1.3196    1.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9010    2.3859   -0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8891    1.2972   -1.7862 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