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
    2.6388   -0.5529    0.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514    0.4977    0.1770 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4766    0.3315   -0.0220 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -0.9474   -0.1432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6742   -0.6801   -0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8289    0.8166    0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4766    1.3893   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1566    2.5807   -0.3475 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -1.5340    0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6957   -0.4215    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2700    1.4996    0.2554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1122   -1.3566   -1.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1249   -1.6340    0.6708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1203   -1.0453   -1.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1893   -1.1896    0.7304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2371    1.0821    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5201    1.1640   -0.7903 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