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
   -2.0396   -1.8664    1.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3065   -0.8075    0.4596 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4182    0.1072    0.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3106    1.0980   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0878    0.8615   -1.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6938    1.6077   -1.9692 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4673   -0.3354   -0.5943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2459   -0.9360   -1.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -0.4424   -0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4476   -1.0667    0.7490 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -0.6091    1.4165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2478    0.4977    0.9666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7802    1.1380   -0.1612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6542    0.6679   -0.8177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -0.0103    1.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0071    1.9210   -0.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3604   -2.0475   -0.9776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1480   -0.7846   -2.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9193   -1.9333    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9493   -1.1027    2.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258    0.8431    1.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3379    2.0071   -0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3164    1.1929   -1.6963 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