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
    3.6199    0.3138   -0.9256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7670   -0.6243   -0.6559 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4349   -0.3150   -0.2590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4790   -1.3648    0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6697   -2.5981    0.0028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7502   -0.6976    0.4042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5914    0.6638    0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765    0.9173   -0.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3147    2.0649   -0.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6368    1.5010    0.6410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574    0.9480    1.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0397   -0.4272    1.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9822   -1.2424    0.7827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3517    1.3441   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329    0.0949   -1.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1029   -1.6533   -0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5396    2.5795    0.5969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6554    1.6356    1.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9951   -0.8378    1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013   -2.3023    0.8332 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