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
2.7398 -0.1635 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7741 0.6705 0.2343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4099 0.3032 0.1705 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1037 -0.9784 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6001 -0.8132 -0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8938 0.6486 -0.1396 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6652 1.1578 0.5117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6471 2.1884 1.2384 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5165 -1.1811 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7837 0.0973 -0.0529 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0920 1.6653 0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3399 -1.2589 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1746 -1.7243 0.5103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9985 -1.1889 -1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1163 -1.4062 0.4423 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0488 1.2073 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7570 0.7763 0.5371 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