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
    1.7305   -2.1456   -1.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0971   -1.0845   -0.5859 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -0.9740    0.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2889    0.2743    0.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1895    1.0457    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9689    2.2773    0.3888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413    0.1679   -0.6620 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435    0.5070   -1.4195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9494    0.2588   -0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4561    1.2505    0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5491    1.0007    1.0768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -0.2302    1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6793   -1.2351    0.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5832   -0.9664   -0.5132 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407   -1.8019    0.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    0.6313    1.3848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2412    1.5609   -1.7363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1320   -0.1465   -2.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9529    2.2270    0.2601 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9301    1.7882    1.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0363   -0.4382    1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1297   -2.2314    0.2469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1650   -1.7359   -1.1684 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