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
    1.7620   -2.4849    0.5685 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0910   -1.2741    0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1824   -0.6919    1.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2831    0.5998    0.9397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2737    0.9519   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    2.1161   -0.5362 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5487   -0.2279   -0.3161 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.3641   -1.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8672   -0.1040   -0.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6121   -1.0980    0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8269   -0.8647    0.6226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3305    0.4300    0.6363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6109    1.4483    0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3866    1.1741   -0.5603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -1.2049    1.9714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0112    1.2978    1.3584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959   -1.4066   -1.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5230    0.3513   -2.0982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2451   -2.1145    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4149   -1.6514    1.0964 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2950    0.6378    1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9954    2.4556    0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8815    2.0240   -1.0019 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