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
    2.0360    1.1015    1.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2356    0.4998    0.8424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3400    0.7920   -0.0657 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2631   -0.0186   -1.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1219   -0.8845   -0.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7490   -1.7806   -1.7722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4808   -0.5561    0.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2873   -1.1495    0.8556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9405   -0.4466    0.4164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6241   -0.8420   -0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653   -0.1703   -1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2749    0.9045   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5850    1.2936    0.7284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4466    0.6302    1.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048    1.5601    0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9868    0.0112   -1.9312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3619   -1.0690    1.9533 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2171   -2.2061    0.4994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415   -1.6925   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3133   -0.4719   -1.9920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1774    1.4275   -0.7178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300    2.1388    1.3350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8857    0.9284    2.0213 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