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
   -2.0162   -0.9724   -1.9356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2688   -0.2892   -0.9051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3018    0.7114   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2101    1.1829    0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0827    0.4937    1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7221    0.7028    2.3739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4945   -0.4287    0.2948 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699   -1.3130    0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9147   -0.6538    0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0948   -1.3490    0.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2799   -0.7222   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.5722   -0.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1023    1.2900   -0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9130    0.6383   -0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0290    1.0197   -1.4208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8356    1.9416    1.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3279   -1.4940    1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5399   -2.2491   -0.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0951   -2.3582    0.6775 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2447   -1.2143    0.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276    1.0450   -0.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798    2.3080   -1.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283    1.1383   -0.4180 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