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
2.5965 -0.2688 -0.7833 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8663 -0.4143 0.3011 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4482 -0.1565 0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2723 0.2742 -0.8866 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6128 0.7609 -0.3479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8329 -0.2053 0.7983 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4481 -0.2749 1.3861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1196 -0.4092 2.5892 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1951 0.0470 -1.7365 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6520 -0.4727 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3635 -0.7357 1.2087 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2549 1.0516 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4969 -0.6409 -1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5547 1.8087 0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4223 0.6532 -1.1149 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0576 -1.1954 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5593 0.1781 1.5428 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