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
2.6709 0.2653 0.1596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8445 -0.6056 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4445 -0.2996 -0.4590 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1844 0.9216 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6223 0.4965 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8684 -0.3940 -0.9230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5749 -1.1211 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4667 -2.2683 -1.5148 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3149 1.2010 0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7217 0.0561 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1865 -1.5474 -0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2997 1.1494 0.9987 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1047 1.7535 -0.6907 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3111 1.3458 0.3387 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6414 -0.1360 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7251 -1.0737 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9837 0.2566 -1.8218 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