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
   -2.0818    1.7887   -1.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689    0.7838   -0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4009    0.6864    0.4474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3136   -0.4795    1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1249   -1.1954    0.6058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7771   -2.3293    1.0213 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4727   -0.3946   -0.3702 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -0.6974   -1.1086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9576   -0.2366   -0.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4421    1.0236   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6024    1.4970   -0.0594 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    0.6800    0.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020   -0.5880    1.0917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6474   -1.0268    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1797    1.4275    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0344   -0.8155    1.8297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3460   -0.2972   -2.1599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2183   -1.8165   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9479    1.7026   -1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9838    2.4887   -0.2569 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1758    1.0522    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3427   -1.2153    1.7914 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147   -2.0384    0.6971 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