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
2.9853 0.1414 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7774 0.0719 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4025 -0.0071 -0.3071 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5557 -0.3108 0.7518 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8773 -0.4987 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7279 0.5618 -1.0626 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3743 0.1936 -1.5338 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0493 0.0720 -2.7065 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5672 0.3360 -1.2745 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7109 0.0418 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8075 -0.1558 1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6995 0.5067 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2254 -1.2765 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9901 -1.5026 -0.4152 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7058 -0.2592 0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6281 1.5566 -0.5586 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5159 0.5290 -1.8088 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