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
2.7088 0.4096 -0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5513 0.9930 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3233 0.4212 -0.1009 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1352 -0.7964 0.6224 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2936 -1.2382 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0003 0.1014 0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9485 1.0222 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1877 2.1411 -0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7444 -0.5181 0.1384 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6138 0.8405 -0.7508 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 1.9414 -1.1269 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1803 -0.6778 1.7103 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7995 -1.6140 0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3531 -1.7699 -0.6623 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7096 -1.7917 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8389 0.0784 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2715 0.4569 1.2273 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