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
2.3047 -0.4045 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5283 -0.5836 -0.5383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5330 0.3296 -0.2763 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0875 -0.6170 1.1068 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3805 -0.1124 1.3839 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8011 0.6624 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4331 1.2160 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2004 2.4839 0.0685 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1463 0.4358 -2.2970 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0831 -1.0890 -1.8684 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8369 -1.4609 0.0101 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0187 -1.5845 0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7002 -0.3635 1.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1413 -0.9240 1.5127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4273 0.5979 2.2435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5490 1.3765 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0937 0.0374 -0.6896 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