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
    2.0417    1.9293   -1.0948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2500    0.8559   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3458    0.6071    0.4385 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2805   -0.6037    0.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1187   -1.2723    0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7068   -2.4590    0.6286 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4874   -0.3442   -0.4768 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860   -0.5325   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9383   -0.1523   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288   -1.0599    0.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7838   -0.6970    0.8577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2899    0.5973    0.7842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5757    1.4950    0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4200    1.1408   -0.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1154    1.3533    0.6597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9711   -1.0682    1.6399 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2988   -1.6042   -1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3446    0.0754   -2.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -2.0697    0.2629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2775   -1.4677    1.4364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1940    0.8670    1.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9757    2.5103   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9165    1.8994   -1.2285 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