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
2.6859 0.3244 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7399 -0.4608 0.5359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4112 -0.3155 0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0686 0.5945 -0.9628 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4984 0.8535 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9207 -0.5660 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 -1.0869 0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6287 -2.0352 1.3652 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6911 0.2264 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4567 1.0432 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9783 -1.1814 1.3043 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4996 1.5187 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2023 0.0499 -1.9346 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1154 1.3195 -1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4798 1.4252 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0280 -1.0932 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8173 -0.6165 0.4817 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