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
2.6130 -0.6844 -0.2714 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7968 0.2840 -0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4397 0.2958 -0.1752 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1708 -0.7535 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6222 -0.6286 0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7873 0.8836 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 1.2973 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3711 2.3435 -1.1397 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2648 -1.5044 0.3162 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6331 -0.6628 -0.5986 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1579 1.1255 -1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1073 -0.5109 1.7168 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2341 -1.7543 0.3895 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3076 -1.1054 0.9316 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7291 -1.0248 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6817 1.1960 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8401 1.2036 1.2492 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