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
    1.8699    1.9358   -1.2554 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1462    0.9329   -0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2365    0.8785    0.4286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1978   -0.3233    0.9778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1076   -1.1133    0.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7606   -2.2918    0.6997 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4564   -0.3084   -0.5223 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2945   -0.6349   -1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9215   -0.2424   -0.5992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4996   -1.1899    0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -0.8321    0.9432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1819    0.4338    0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6056    1.3757    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4765    1.0217   -0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9609    1.6803    0.6609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8912   -0.6903    1.7500 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3770   -0.0611   -2.3016 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3482   -1.6949   -1.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0958   -2.1899    0.3445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066   -1.5450    1.6043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0696    0.7260    1.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0478    2.3729   -0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0141    1.7597   -1.3629 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