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
    1.4658    2.3022   -1.1292 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930    1.3191   -0.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2644    1.2780    0.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4609    0.0467    0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3179   -0.7878    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1563   -2.0167    0.4471 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4156    0.0210   -0.5346 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1811   -0.4603   -1.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9699   -0.3394   -0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2981   -1.3644    0.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3739   -1.2181    1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1460   -0.0768    1.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322    0.9603    0.6579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7466    0.8185   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9306    2.1089    0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2857   -0.3338    1.2085 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2742   -1.5090   -1.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0896    0.1331   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171   -2.2964    0.7013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6250   -2.0357    2.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9768   -0.0442    2.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4479    1.8509    0.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5224    1.6441   -0.8512 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