Monomers

N-Vinyl-2-pyrrolidone

Identifiers

IUPAC name
1-ethenylpyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InchI Key
WHNWPMSKXPGLAX-UHFFFAOYSA-N
SMILES
C=CN1CCCC1=O
Canonical SMILES
C=CN1CCCC1=O
Isomeric SMILES
C=CN1CCCC1=O
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.7523
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
    2.5698   -1.2024    0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6824   -0.2367    0.1067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4328   -0.4943   -0.3479 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1087    1.2324   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2741    0.9925    0.5522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9952   -0.1682   -0.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8260   -0.7538   -0.8059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9307   -1.5449   -1.8523 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5275   -0.9687    0.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -2.2068    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1553    0.7385    0.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2390    1.3588   -1.3194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7814    1.5788    0.1756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9044    0.5881    1.5393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9499    1.8496    0.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7954    0.1588   -0.7853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3508   -0.9217    0.6176 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  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  3  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  6 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers