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
2.6855 -0.1397 -0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7547 0.4867 0.5841 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.3493 0.1805 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0824 -0.4212 -0.9276 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4671 -0.8421 -0.4240 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9778 0.3207 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7083 0.9623 0.8178 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6219 1.9188 1.6350 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7222 -0.0438 0.1959 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4314 -0.7464 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9999 1.1118 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4915 -1.3312 -1.1435 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1636 0.1847 -1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0932 -1.1134 -1.2704 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2726 -1.6810 0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4831 -0.0231 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6187 1.0078 -0.1974 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