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
2.7387 0.0490 -0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8015 0.4679 0.5038 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4370 0.1242 0.3243 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1180 -0.6931 -0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6061 -0.4412 -0.7206 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9222 0.3816 0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6040 0.5531 1.1853 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4009 1.0044 2.3398 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4197 -0.5815 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7606 0.3044 -0.1871 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1193 1.0937 1.3336 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0515 -1.7786 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3204 -0.3887 -1.7092 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1874 -1.3886 -0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9083 0.0569 -1.6619 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 -0.1494 1.2250 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3231 1.3861 0.2392 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