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
2.6532 -0.3254 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6215 0.4208 0.9141 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2986 0.1659 0.4711 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1192 -0.9291 -0.3853 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1313 -0.2119 -1.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9562 0.5131 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8887 0.8964 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9804 1.7284 1.6950 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5134 -1.2008 -0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6444 -0.0970 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7920 1.2710 1.5485 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7134 -1.6367 0.2306 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6896 -1.3864 -0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6081 0.5077 -1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7120 -0.9428 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6705 -0.2044 0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4330 1.4311 -0.6523 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