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
    2.3888   -1.0912    0.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -0.3036    1.4130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942    0.0582    0.6568 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0574   -0.4143   -0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3911   -0.0990   -0.9908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6041    1.1539   -0.1682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7824    0.8894    1.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307    1.3416    2.1720 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008   -1.4897   -0.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433   -1.3412    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5654    0.0879    2.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2804   -1.4783   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6714    0.2013   -1.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5096    0.1580   -2.0649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -0.9300   -0.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6810    1.2581    0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2092    1.9990   -0.7622 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