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
2.6388 -0.5529 0.2697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8514 0.4977 0.1770 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4766 0.3315 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2063 -0.9474 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6742 -0.6801 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8289 0.8166 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4766 1.3893 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1566 2.5807 -0.3475 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2400 -1.5340 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6957 -0.4215 0.4228 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2700 1.4996 0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1122 -1.3566 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1249 -1.6340 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1203 -1.0453 -1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1893 -1.1896 0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2371 1.0821 1.0377 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5201 1.1640 -0.7903 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