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
    1.6225   -2.5742   -0.1977 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0573   -1.3814   -0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2884   -0.8797    0.4444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3851    0.4310    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1995    0.8754   -0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9347    2.0707   -0.7875 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3879   -0.2602   -0.7070 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1268   -0.2006   -1.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9943    0.0157   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406   -1.0704    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6946   -0.8475    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1027    0.4277    1.2270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4487    1.5213    0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3901    1.3001   -0.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261   -1.5034    0.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1876    1.0822    0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0429   -1.1855   -1.9360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2284    0.5720   -2.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3527   -2.0917   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2363   -1.6691    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9224    0.6512    1.8959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7309    2.5354    0.8839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8882    2.1809   -0.6227 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