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
    2.0132   -1.4270   -1.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2227   -0.5193   -0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2212    0.5402   -0.6232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1488    1.3143    0.4468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0721    0.8010    1.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6712    1.2537    2.4048 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5099   -0.3323    0.6387 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4048   -1.1731    1.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -0.6198    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3978   -1.0188   -0.6172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5912   -0.4744   -1.0439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2756    0.4567   -0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7373    0.8381    0.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5482    0.3104    1.3637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9237    0.6749   -1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    2.1832    0.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3944   -1.1647    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6109   -2.1881    0.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8912   -1.7460   -1.2367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0254   -0.7710   -1.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2298    0.8780   -0.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2566    1.5647    1.5193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1163    0.6191    2.3344 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