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
    2.2744    1.4209    1.5788 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3812    0.6799    0.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3621    0.7875   -0.5028 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1366   -0.1857   -1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0133   -0.9695   -0.9405 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5522   -1.9766   -1.5728 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -0.4312    0.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4190   -0.9664    1.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8707   -0.3724    0.6160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9615    0.5988   -0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1447    1.1772   -0.7525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207    0.7817   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2694   -0.1863    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0596   -0.7563    1.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1362    1.5434   -0.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7212   -0.3370   -2.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612   -2.0594    0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5539   -0.8378    2.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0491    0.9238   -0.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2058    1.9414   -1.5196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    1.2268   -0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2162   -0.4925    1.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0600   -1.5103    1.9661 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