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
    1.4217    1.0067   -2.4586 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    0.5426   -1.4277 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2070   -0.2208   -1.3645 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379   -0.5258   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3744    0.0139    0.7524 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2424   -0.0673    2.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4469    0.6873   -0.0934 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2509    1.3661    0.2899 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9407    0.4831    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8719   -0.8511   -0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9698   -1.6825   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1853   -1.1545    0.3156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3071    0.1574    0.6533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1809    0.9716    0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8455   -0.5017   -2.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2906   -1.0912    0.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242    1.8120    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0221    2.2213   -0.4037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0880   -1.2722   -0.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8495   -2.7144   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0873   -1.7709    0.3332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2732    0.5797    0.9323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2525    2.0107    0.9048 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