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
2.3961 1.0719 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8345 0.3838 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4935 -0.0690 -0.2481 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3791 0.1895 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7403 0.1819 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5573 -1.0747 -0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2272 -0.8133 -1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1428 -1.1928 -2.3383 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4145 1.3980 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8547 1.3232 1.5465 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3914 0.1446 -1.2146 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1738 1.1593 1.3717 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2668 -0.6792 1.5749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5669 0.0606 0.9174 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7909 1.0636 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3549 -1.1971 -1.3781 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4703 -1.9503 0.0533 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