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
2.4214 -0.9095 0.8427 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8930 -0.1899 -0.1073 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4857 -0.0879 -0.2450 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5201 -0.7270 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 0.3451 0.6376 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5934 0.9593 -0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2292 0.6522 -1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2099 1.0124 -2.3657 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4973 -0.9658 0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8618 -1.4680 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5043 0.3447 -0.8105 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1262 -0.9603 1.6016 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9292 -1.6412 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5617 -0.0743 0.9497 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2824 1.0866 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3765 0.5409 -1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6660 2.0825 -0.6535 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