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
   -1.7806    2.3130   -0.9921 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350    1.2080   -0.5322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2973    1.0090    0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3411   -0.2991    0.6006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2372   -0.9964   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846   -2.2431    0.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4834   -0.0263   -0.7512 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3117   -0.3027   -1.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9435   -0.2065   -0.7367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    1.0119   -0.6805 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7550    1.1084    0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2754    0.0132    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6463   -1.2114    0.6565 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4788   -1.2906   -0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0081    1.7529    0.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1055   -0.7407    1.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2683    0.3952   -2.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4112   -1.3319   -1.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1714    1.8860   -1.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2356    2.0870    0.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    0.1131    1.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1046   -2.0277    1.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9677   -2.2214   -0.1293 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