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
    1.7439    2.3784   -0.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0913    1.2094   -0.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1674    0.8129    0.8455 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2330   -0.5079    0.9189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1921   -1.0508    0.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9177   -2.2768   -0.1610 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    0.0209   -0.5587 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3597   -0.0652   -1.4997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8864   -0.0757   -0.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5223    1.1013   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6859    1.1261    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -0.0616    0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6080   -1.2608    0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4484   -1.2527   -0.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8174    1.5078    1.3817 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9303   -1.1029    1.5125 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4833   -1.0077   -2.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3576    0.8303   -2.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825    2.0243   -0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1210    2.0956    0.6069 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1341   -0.0338    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0632   -2.1840    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -2.2270   -0.4720 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