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
2.6980 -0.0413 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6548 -0.7423 0.5756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3236 -0.3156 0.3330 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0085 0.9318 -0.3621 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3288 0.5106 -1.0238 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9915 -0.1174 0.1777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.9735 0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9977 -2.0706 1.3297 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6873 -0.4035 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5814 0.8903 -0.3289 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7688 -1.6979 1.1076 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7214 1.2046 -1.1163 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2793 1.7321 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0590 -0.2683 -1.7644 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8682 1.3457 -1.4534 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1241 0.6902 0.9408 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8956 -0.6750 -0.0450 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