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
2.6375 -0.0326 0.5586 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7452 0.7556 0.0256 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3681 0.4280 0.0106 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1815 -0.7909 0.5737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3542 -1.0271 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9382 0.3697 -0.4235 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7071 1.1986 -0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5578 2.3468 -1.0063 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6837 0.2512 0.5518 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3862 -0.9606 1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0399 1.7041 -0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6282 -0.5719 1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5102 -1.6311 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0427 -1.7743 -0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8867 -1.2988 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6259 0.5185 -1.2797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 0.5148 0.5588 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