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
    2.1159   -1.7063    1.2227 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2792   -0.5742    0.6562 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    0.4416    1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1085    1.4613    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0317    1.1771   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700    1.9760   -1.6374 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -0.1115   -0.4458 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367   -0.8165   -1.1048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8793   -0.5124   -0.4776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9085    0.3548    0.5933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1431    0.6375    1.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2861    0.0395    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566   -0.8278   -0.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0180   -1.1026   -0.9829 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9699    0.3311    1.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7232    2.3658    0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496   -0.5248   -2.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5773   -1.9147   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    0.7899    0.9524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1761    1.3183    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2430    0.2550    1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1650   -1.2773   -0.7833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9591   -1.7797   -1.8259 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