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
    1.3335    2.2346   -1.4260 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9130    1.3799   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0366    1.5342    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2930    0.3847    0.7811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3319   -0.6267    0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3000   -1.8424    0.6541 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4687    0.0254   -0.6216 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3688   -0.5913   -1.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8748   -0.4609   -0.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2426   -1.4214    0.4005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3856   -1.3159    1.1688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1855   -0.1988    1.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8116    0.7657    0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6673    0.6505   -0.6828 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5578    2.4910    0.3411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0688    0.1722    1.4920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655   -1.6713   -1.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1538   -0.0976   -2.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6337   -2.2901    0.5383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6949   -2.0530    1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0915   -0.1011    1.6035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4212    1.6231   -0.0498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3826    1.4093   -1.4029 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