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
2.6601 -0.1765 0.7011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5055 0.0807 1.3029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2768 0.0444 0.6254 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1364 -0.2755 -0.7948 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3392 -0.4042 -1.0445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9094 0.5573 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0005 0.2943 1.1445 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3550 0.3036 2.3598 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6593 -0.4273 -0.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6077 -0.1531 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5640 0.3247 2.3652 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5612 0.6115 -1.3405 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7011 -1.1912 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6921 -1.4162 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6299 -0.0692 -2.0716 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7837 1.5750 -0.3958 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9625 0.3216 0.2368 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