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
    2.6601   -0.1765    0.7011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5055    0.0807    1.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2768    0.0444    0.6254 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1364   -0.2755   -0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392   -0.4042   -1.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9094    0.5573   -0.0047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0005    0.2943    1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3550    0.3036    2.3598 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6593   -0.4273   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6077   -0.1531    1.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5640    0.3247    2.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5612    0.6115   -1.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7011   -1.1912   -0.9743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6921   -1.4162   -0.8195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6299   -0.0692   -2.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837    1.5750   -0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9625    0.3216    0.2368 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