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
2.6466 0.5630 0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8405 -0.4528 -0.0747 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4300 -0.3061 -0.1426 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2712 0.9537 0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6027 0.4207 0.6007 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8359 -0.6629 -0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5154 -1.3277 -0.4034 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3063 -2.5400 -0.5742 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1951 1.5295 0.3294 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7181 0.4403 0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2772 -1.4180 -0.2299 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4430 1.4728 -0.9063 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2158 1.6280 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3478 -0.0080 1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 1.1820 0.6195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9529 -0.1438 -1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6687 -1.3306 -0.1828 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