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
2.6086 -0.5570 0.5343 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7624 0.4556 0.5973 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3870 0.2959 0.2987 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2324 -0.9568 -0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3383 -0.4510 -1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8917 0.6913 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6243 1.2960 0.3276 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5243 2.4962 0.6882 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2874 -1.5485 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6611 -0.4534 0.7586 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1059 1.4364 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7576 -1.4453 0.7587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4489 -1.6411 -0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0897 -1.2107 -1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8626 -0.0091 -1.9028 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4430 0.2143 0.6719 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4975 1.3872 -0.7563 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