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
    2.0631   -2.1480   -0.2414 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2573   -0.8866   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3513   -0.2262    0.5630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2188    1.0852    0.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0237    1.3713   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5731    2.5167   -0.6375 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4378    0.1307   -0.6855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2364   -0.0972   -1.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381   -0.1554   -0.5502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2015   -0.3654   -1.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3034   -0.4215   -0.2252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1991   -0.2735    1.1430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9324   -0.0643    1.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8266   -0.0064    0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1492   -0.7680    1.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8931    1.8398    0.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553    0.7007   -2.2177 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3494   -1.0562   -1.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064   -0.4850   -2.1461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954   -0.5874   -0.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0586   -0.3171    1.8000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8203    0.0556    2.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1733    0.1581    1.2108 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