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
    2.6859    0.3244    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7399   -0.4608    0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112   -0.3155    0.0530 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0686    0.5945   -0.9628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4984    0.8535   -0.4648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9207   -0.5660   -0.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7035   -1.0869    0.5244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -2.0352    1.3652 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6911    0.2264    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4567    1.0432   -0.7573 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9783   -1.1814    1.3043 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4996    1.5187   -1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2023    0.0499   -1.9346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154    1.3195   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4798    1.4252    0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280   -1.0932   -1.1177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8173   -0.6165    0.4817 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