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
   -0.0379   -1.9746    1.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -1.8575    0.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0756   -0.5801   -0.0500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2091    0.6509    0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1441    1.7676   -0.2576 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1267    1.1689   -1.6409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0434   -0.2863   -1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414   -1.1103   -2.3667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1371   -1.1047    2.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0197   -2.9249    2.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1066   -2.7715   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2507    0.7181    1.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    0.6359    1.5021 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1776    2.1321   -0.0786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5372    2.6234   -0.1944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0507    1.3604   -2.2063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7377    1.5526   -2.2466 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