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
   -1.9668    1.1207   -2.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    0.6273   -0.8836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3185    1.0593   -0.0106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2673    0.2967    1.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1686   -0.6640    0.9705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8538   -1.5355    1.8432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5262   -0.4404   -0.2744 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3837   -1.1591   -0.8013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9063   -0.5189   -0.3972 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662   -0.8678    0.7645 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7553   -0.3025    1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3326    0.6696    0.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852    1.0421   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4961    0.4533   -1.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0405    1.8560   -0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9564    0.3823    1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3489   -2.1955   -0.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -1.2664   -1.8925 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1306   -1.6209    1.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2488   -0.6073    2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2612    1.1184    0.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1595    1.8087   -1.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0004    0.7442   -2.0852 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