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
2.4404 -1.0098 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8054 -0.4990 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4632 -0.0430 -0.2705 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3482 -0.0786 0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7596 0.0035 0.3986 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5559 1.0414 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3065 0.5269 -1.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0562 0.5579 -2.5297 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9580 -1.0927 1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4440 -1.3482 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2903 -0.4167 -1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1697 -0.9795 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1649 0.8714 1.4886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9996 -0.9660 -0.0768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4687 0.3319 1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 1.1049 -1.3876 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2872 1.9958 -0.2028 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