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
2.2722 -0.1695 1.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8567 0.3384 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5573 0.0538 -0.1755 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4273 -0.7643 0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6921 0.0681 0.2264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5429 0.3236 -1.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0709 0.5003 -1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5603 0.9692 -2.3514 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 0.0757 1.7338 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6809 -0.8001 2.0485 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4811 0.9659 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 -1.7384 -0.0294 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2706 -0.9049 1.5606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5347 -0.6145 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7060 0.9809 0.8132 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8867 -0.5457 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0730 1.2617 -1.5619 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