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
    1.9224    0.0373    2.5541 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2322   -0.0228    1.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4178    0.5101    0.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3433    0.2238   -0.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1251   -0.5047   -0.8851 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7508   -0.9300   -2.0304 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4497   -0.6424    0.3587 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803   -1.3286    0.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761   -0.4687    0.2663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2409   -1.0077    0.3293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3811   -0.2353    0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1781    1.1082   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148    1.6734   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8067    0.8753    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2306    1.0571    1.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0814    0.4865   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1743   -1.8227    1.4627 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1408   -2.1616   -0.2752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4212   -2.0708    0.5126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3860   -0.6283    0.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0607    1.7474   -0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8410    2.7430   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1580    1.3614   -0.0282 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