Monomers

N-Vinylphthalimide

Identifiers

IUPAC name
2-ethenylisoindole-1,3-dione
InchI
InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2
InchI Key
IGDLZDCWMRPMGL-UHFFFAOYSA-N
SMILES
C=CN1C(=O)c2c(C1=O)cccc2
Canonical SMILES
C=CN1C(=O)C2=CC=CC=C2C1=O
Isomeric SMILES
C=CN1C(=O)C2=CC=CC=C2C1=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
1.4261
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
    3.7228    0.3745    0.7755 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9767   -0.0189   -0.2281 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5612   -0.0078   -0.1141 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6795   -0.4225   -1.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0478   -0.8366   -2.2920 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6895   -0.2967   -0.7495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6979    0.1871    0.5403 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077    0.3686    0.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0660    0.7978    2.0624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9117    0.3847    1.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1176    0.1299    0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970   -0.3543   -0.7591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8958   -0.5690   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8290    0.3685    0.6936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    0.7081    1.6904 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561   -0.3497   -1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9137    0.7631    2.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0828    0.2819    0.9951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0381   -0.5636   -1.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8947   -0.9451   -2.4053 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
  8  3  1  0
 13  6  1  0
  1 14  1  0
  1 15  1  0
  2 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