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
2.6653 -0.2266 0.4117 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8426 0.5854 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4677 0.2815 -0.4065 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1612 -0.9527 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6200 -0.6418 0.1826 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8845 0.6213 -0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5250 1.0488 -1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3205 1.9685 -1.8623 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3584 -1.1848 0.7959 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6966 0.0535 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1911 1.5378 -0.5665 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3054 -1.2569 1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0221 -1.7853 -0.6609 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8268 -0.5177 1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2884 -1.4225 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5653 0.5069 -1.4312 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3135 1.3846 0.0962 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