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
2.7468 0.4182 0.8437 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6538 -0.2964 0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5941 0.3668 -0.1540 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3779 -1.1532 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6579 -0.6464 0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6883 0.8465 -0.0512 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4149 0.9982 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2877 1.7298 -1.8315 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5600 -0.0513 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6553 1.4864 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7862 -1.3388 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1767 -1.7160 0.4594 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0949 -1.2721 -1.2793 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5376 -1.0725 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8590 -0.8834 1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5687 1.1766 -0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6860 1.4077 0.9323 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