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
    2.1019    1.4485   -1.6262 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2436    0.7115   -0.6155 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2306    0.9024    0.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0595   -0.0785    1.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9793   -0.9589    0.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041   -1.9739    1.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4809   -0.4537   -0.3042 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3820   -1.0429   -1.0769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8789   -0.4072   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3787    0.7499   -1.1479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5505    1.3393   -0.6868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040    0.7281    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7163   -0.4348    0.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5553   -0.9969    0.4672 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655    1.7180    0.5018 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6513   -0.1953    2.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5586   -0.7541   -2.1255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3278   -2.1249   -0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    1.1896   -1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9372    2.2465   -1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1154    1.1824    0.7238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2607   -0.8880    1.7689 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1582   -1.9070    0.9092 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