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
2.3950 1.1528 0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8849 0.0018 0.2151 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4952 -0.2261 0.0515 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5053 0.8101 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6261 0.3155 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6078 -1.1769 -0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1347 -1.4355 -0.3511 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4446 -2.4877 -0.7238 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7195 1.9673 0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4399 1.2829 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5487 -0.8192 0.0169 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1512 1.8167 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8739 0.7503 1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3782 0.3635 -1.6706 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5971 0.7686 -0.3418 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8506 -1.3051 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2030 -1.7790 -0.9142 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