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
   -1.7683    0.8619    2.3016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0875    0.5493    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1655    1.1842    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2408    0.6280   -0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2197   -0.4006   -0.9398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0194   -1.1143   -1.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5063   -0.4369    0.2836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3972   -1.3046    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8893   -0.6319    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   -1.2444    0.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3024   -0.6548    0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813    0.6134   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0810    1.2481   -0.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9103    0.6218   -0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8276    1.9832    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9682    0.9121   -1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4292   -1.5098    1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4772   -2.2451    0.0296 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0676   -2.2414    0.9314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2187   -1.1862    0.3176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2230    1.0614   -0.7362 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0931    2.2192   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634    1.0875   -0.5110 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