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
2.9779 -0.0952 0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7205 0.0491 0.3774 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4238 0.1979 0.1172 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3899 -0.1073 -1.0379 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7937 -0.1950 -0.5921 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7758 -0.0301 0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5446 0.7674 1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3236 1.7017 1.8639 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2974 0.2413 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7483 -0.4807 0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0099 -0.4411 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2307 0.6456 -1.8616 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1191 -1.1296 -1.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2766 -1.1754 -0.8914 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4349 0.6288 -1.0635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6109 -1.0401 1.3368 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6780 0.4625 1.2989 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