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
2.6774 -0.0645 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8168 0.2143 -0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4367 0.0424 -0.3462 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1470 -0.4354 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6295 -0.2834 0.7414 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8393 0.4076 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5754 0.3174 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 0.4604 -2.5628 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3262 -0.4230 1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7291 0.0713 0.1649 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1687 0.5720 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2720 0.1130 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1117 -1.5338 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1428 -1.2620 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0522 0.3519 1.5575 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0672 1.5041 -0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6518 -0.0523 -1.1716 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