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
2.6703 -0.2863 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8519 0.2512 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4422 0.0885 0.3747 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2227 -0.6572 -0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6652 -0.3565 -0.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8062 0.6761 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5461 0.5938 1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4299 0.9279 2.4219 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7356 -0.1327 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2869 -0.8770 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2852 0.8180 1.2901 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2800 -0.4024 -1.6257 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0288 -1.7393 -0.4578 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3204 -1.2193 -0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9815 0.0905 -1.5825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8586 1.6955 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6927 0.5292 1.0990 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