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
2.6941 0.2947 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6401 0.9342 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3241 0.3553 -0.2135 N 0 0 0 0 0 0 0 0 0 0 0 0
0.0303 -0.9255 0.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4458 -0.7263 0.7727 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9335 -0.0560 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8714 0.9681 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9620 2.1316 -1.1469 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 0.7173 0.0353 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5928 -0.6781 0.6084 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7666 1.8893 -0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6479 -1.1339 1.2764 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0748 -1.7305 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5004 0.0249 1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9385 -1.6742 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8451 -0.7672 -1.3375 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9379 0.3763 -0.3941 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