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
    3.7642   -0.6069    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8989   -0.4469   -0.5662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5203   -0.2340   -0.3144 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5136   -0.0503   -1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7755   -0.0630   -2.5753 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7807    0.1406   -0.7156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6268    0.0844    0.6467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8100   -0.1498    0.9095 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2681   -0.2493    2.0590 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7430    0.2431    1.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0014    0.4550    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1367    0.5085   -0.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0433    0.3538   -1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8172   -0.7699    0.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4417   -0.5794    1.4174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2626   -0.4810   -1.5764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6025    0.1957    2.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8824    0.5803    1.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0983    0.6721   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1570    0.3969   -2.3351 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