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
2.7039 -0.2951 -0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7906 0.6349 -0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3866 0.3599 -0.2237 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2556 -0.9264 -0.4337 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4074 -0.8429 0.5354 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8984 0.5816 0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6829 1.2930 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5878 2.5270 -0.3934 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3999 -1.3351 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7445 -0.0464 -0.1999 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 1.6507 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4142 -1.7791 -0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6919 -0.9396 -1.4740 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1926 -1.5919 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9799 -0.9949 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7382 0.6865 -0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1092 1.0179 1.4006 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