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
    1.5594    1.1685   -2.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0062    0.8081   -1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1014    1.3827   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2686    0.7222    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893   -0.3552    0.7742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1339   -1.2054    1.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5132   -0.2830   -0.4241 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4135   -1.1801   -0.7616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -0.6463   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6742    0.2004   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8643    0.6955   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2695    0.3330    0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4839   -0.5048    1.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861   -0.9989    1.0131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6793    2.2419   -0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0111    0.9194    1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -2.1825   -0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3771   -1.1845   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3619    0.4881   -2.0235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5079    1.3509   -1.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2071    0.6927    1.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769   -0.8099    2.5067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6999   -1.6527    1.6468 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