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
    2.0309    1.4756   -1.8081 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2187    0.7856   -0.7592 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2624    1.0949    0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1942    0.2068    1.1775 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1254   -0.7586    0.9245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7968   -1.7491    1.6572 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5380   -0.3572   -0.3036 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4477   -1.0127   -0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8798   -0.4634   -0.5087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9756    0.5579    0.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1749    1.0825    0.8330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3425    0.5431    0.2920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2499   -0.4812   -0.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0278   -0.9994   -1.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540    1.9219    0.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8156    0.1199    2.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018   -2.1058   -0.7372 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5042   -0.8751   -2.0609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0224    0.9350    0.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1994    1.8840    1.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2898    0.9196    0.5903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1540   -0.9158   -1.0658 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9735   -1.8084   -1.7759 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