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
2.6640 -0.4134 0.3299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8462 0.4281 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4307 0.1575 -0.3548 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -1.0120 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5417 -0.3933 0.6783 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8203 0.8101 -0.1831 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5649 0.9637 -0.9535 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3702 1.6795 -1.9745 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2893 -1.3319 0.7551 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7015 -0.2067 0.3968 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2225 1.3461 -0.6836 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4862 -1.6526 -0.7568 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2789 -1.5869 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3562 -0.1114 1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4111 -1.0806 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7063 0.6841 -0.8344 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9049 1.7196 0.4691 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