Monomers

N-Phenylmaleimide

Identifiers

IUPAC name
1-phenylpyrrole-2,5-dione
InchI
InChI=1S/C10H7NO2/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h1-7H
InchI Key
HIDBROSJWZYGSZ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccccc1
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
C1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H7NO2
Heavy Atom Count
13
Molecular Weight
173.171
Exact Molecular Weight
173.0477
Valence Electrons
64
Radical Electrons
0
tPSA
37.38
MolLogP
1.116
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

 20 21  0  0  0  0  0  0  0  0999 V2000
    1.4026   -2.2126    0.8039 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8369   -1.1179    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2337   -0.7414    0.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2890    0.4924   -0.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268    0.9845   -0.4244 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5545    2.1180   -0.8464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -0.0295   -0.0171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4081    0.0218   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1432   -0.3064   -1.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.2657   -1.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2367    0.1123   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149    0.4428    1.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1379    0.3997    1.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1186   -1.3617    0.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1863    1.0776   -0.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6155   -0.6114   -2.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631   -0.5341   -2.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3187    0.1368   -0.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0586    0.7394    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5423    0.6554    1.9936 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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  7  2  1  0
 13  8  1  0
  3 14  1  0
  4 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
 12 19  1  0
 13 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers