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
2.7448 -0.0417 0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7615 0.8105 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3930 0.4400 0.0369 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0252 -0.8597 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 -1.0217 0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9975 0.3990 0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7679 1.2308 0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7975 2.4603 0.4919 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7605 0.2760 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5804 -1.0493 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9442 1.8304 0.5851 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0238 -0.8621 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5323 -1.6904 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9722 -1.6504 -0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5284 -1.4468 1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6904 0.5924 0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4815 0.5827 -0.9129 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