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
2.7051 -0.2490 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7263 -0.7448 -0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4179 -0.1976 -0.3279 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0559 0.9104 0.4778 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4396 0.4298 0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9686 -0.0763 -0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7376 -0.6566 -1.0591 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7064 -1.4334 -2.0554 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5192 0.5809 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6844 -0.6822 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9162 -1.5786 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1542 1.7817 -0.2169 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5877 1.0951 1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0760 1.2465 1.2024 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3255 -0.3939 1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3288 0.8003 -1.0402 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7643 -0.8322 -0.3283 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