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
2.5890 0.8818 0.0559 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9036 -0.2344 0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4760 -0.2410 -0.2043 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3972 0.9000 -0.3818 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6138 0.4603 0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7556 -1.0171 0.1459 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3725 -1.3785 -0.2789 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0366 -2.5286 -0.6617 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 1.8151 -0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6546 0.8903 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4404 -1.1658 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0074 1.8417 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6934 0.9266 -1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3184 0.6100 1.5055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5085 1.0349 0.1633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4946 -1.2103 -0.6566 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9978 -1.5850 1.0683 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