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
2.5990 -0.7839 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8948 0.2543 -0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4562 0.1718 -0.2930 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 -0.9746 -0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6235 -0.3609 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6950 1.0477 -0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3838 1.2440 -0.6775 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0714 2.2064 -1.4596 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6567 -0.7130 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1114 -1.7130 0.4036 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4018 1.1863 -0.3522 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0658 -1.7402 0.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 -1.4289 -1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5495 -0.3871 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5326 -0.9565 0.2615 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7054 1.7401 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5457 1.2076 -0.6903 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