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
    2.3138    1.6209   -1.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    0.7232   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2709    0.6990    0.9610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0068   -0.4156    1.6302 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458   -1.1655    0.9685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4627   -2.2619    1.3458 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5446   -0.4403   -0.1884 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -0.7952   -1.1584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065   -0.2520   -0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0208    0.4931    0.3746 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2634    0.9842    0.7112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3624    0.7512   -0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1543    0.0085   -1.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9033   -0.4887   -1.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0220    1.4375    1.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5477   -0.6818    2.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7479   -0.4486   -2.1740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4920   -1.9139   -1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1706    0.6865    1.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3429    1.5667    1.6380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3393    1.1347    0.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0221   -0.1844   -1.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8636   -1.0576   -2.4919 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