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
2.6296 -0.4806 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8012 -0.4456 0.5186 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4439 -0.0661 0.3257 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1896 0.3138 -0.9463 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6363 -0.0341 -0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7921 0.4767 0.7562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5254 0.0036 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3251 -0.2873 2.5643 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2736 -0.2180 -1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6670 -0.7590 -0.4294 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1746 -0.7085 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1383 1.4108 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2385 -0.2634 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 0.4868 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8121 -1.1178 -0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7793 1.5989 0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6880 0.0896 1.2377 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