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
2.4987 -1.0348 -0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7748 -0.2214 0.6653 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 0.0962 0.2944 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2516 -0.4058 -0.8784 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7106 -0.2287 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6317 1.1501 0.1878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4248 0.9654 1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1967 1.4627 2.1696 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0867 -1.4755 -0.9898 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5018 -1.2857 0.1785 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2199 0.1933 1.5567 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0071 -1.4691 -1.0343 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0096 0.2284 -1.7544 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3935 -0.2433 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9267 -0.9645 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4581 1.8738 -0.6334 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5421 1.3590 0.7755 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