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
cid=

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
    2.7204    0.1055    0.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6762   -0.5501    0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542   -0.2912    0.0647 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388    0.7083   -0.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4354    0.6710   -1.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9864   -0.4213   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8323   -0.9295    0.5065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8669   -1.7901    1.4160 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6366    0.8626   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7015   -0.1406    0.4006 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057   -1.3282    1.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3665    1.6925   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816    0.5334   -1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6986    0.4058   -2.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8543    1.6682   -0.9028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4484   -1.2450   -0.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7593    0.0487    0.3923 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