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
2.5702 -0.8538 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8991 0.2740 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4743 0.2546 0.0677 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3728 -0.9328 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6927 -0.3548 -0.5171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7415 0.9346 0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3450 1.4140 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0411 2.6089 0.0960 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0473 -1.8156 -0.0793 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6384 -0.8950 0.0298 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4507 1.1900 0.1854 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0367 -1.6763 -0.7282 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4986 -1.4100 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5469 -1.0002 -0.3075 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6117 -0.0275 -1.5635 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8546 0.6574 1.3883 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4942 1.6324 -0.0460 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