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
2.5869 -0.5297 0.6246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7198 0.4597 0.6551 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4577 0.3323 0.0397 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0996 -0.7922 -0.6815 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5383 -0.7752 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8876 0.7003 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5672 1.3341 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3245 2.5764 0.1865 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3011 -1.4374 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5662 -0.4292 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0320 1.3700 1.1774 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3941 -1.7433 -0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1201 -0.5578 -1.7848 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2017 -1.4180 -0.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4670 -1.0505 0.9136 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2855 0.9651 -1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5663 0.9953 0.5726 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