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
-0.0379 -1.9746 1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0068 -1.8575 0.5353 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0756 -0.5801 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2091 0.6509 0.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1441 1.7676 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1267 1.1689 -1.6409 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0434 -0.2863 -1.4159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1414 -1.1103 -2.3667 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1371 -1.1047 2.4816 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0197 -2.9249 2.3692 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1066 -2.7715 -0.0260 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2507 0.7181 1.0585 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5380 0.6359 1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1776 2.1321 -0.0786 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5372 2.6234 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0507 1.3604 -2.2063 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7377 1.5526 -2.2466 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