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
2.6780 -0.6145 -0.2179 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8963 0.3469 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4815 0.3013 0.1112 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2448 -0.7919 -0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6978 -0.5275 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8214 0.7198 0.5364 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4405 1.2672 0.5516 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1808 2.4410 0.9168 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7404 -0.5550 -0.1161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1933 -1.4719 -0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3818 1.1892 0.6996 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0543 -0.7872 -1.5845 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0969 -1.7220 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2221 -1.3902 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1869 -0.3234 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1728 0.4657 1.5784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5553 1.4525 0.0982 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