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
    1.9572   -0.2798    2.2662 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    0.0349    1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2746    0.9368    0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2503    1.0313   -0.6561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1889    0.2090   -1.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8607    0.0454   -2.4246 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5417   -0.4152   -0.1117 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4354   -1.3240   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8703   -0.6736    0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4544   -0.3945    1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047    0.2285    1.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896    0.5818    0.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8074    0.3037   -1.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870   -0.3046   -1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9848    1.4633    1.3114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9305    1.6405   -1.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6187   -2.0568    0.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5219   -1.9510   -1.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9547   -0.6531    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1788    0.4554    2.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3637    1.0675    0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3438    0.5804   -1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1242   -0.5259   -2.0544 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