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
   -1.7588    0.9041   -2.2372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1279    0.4384   -1.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3204    0.8324   -0.3835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3824    0.1331    0.7380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2306   -0.7557    0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9668   -1.5754    1.7265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4381   -0.5686   -0.3795 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2058   -1.2352   -0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9949   -0.4901   -0.2329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5316    0.4875   -1.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6308    1.1764   -0.5819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1851    0.9113    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6361   -0.0676    1.4479 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5196   -0.7866    1.0060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0476    1.5868   -0.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1895    0.2588    1.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1456   -2.2571   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0771   -1.3231   -1.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0982    0.7101   -2.0352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0731    1.9594   -1.2167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0408    1.4754    0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0849   -0.2653    2.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0952   -1.5489    1.6329 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