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
2.3089 1.2540 0.7436 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9357 0.1072 0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5599 -0.2195 0.0467 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5540 0.6420 0.4335 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 0.2378 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5121 -1.2628 -0.5261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0314 -1.3780 -0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6276 -2.3788 -0.8949 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5662 1.9816 1.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3356 1.5078 0.8706 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6955 -0.5928 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7873 0.5526 1.5007 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2554 1.6710 0.1239 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6520 0.5044 0.0514 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5920 0.7078 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9878 -1.7292 0.3632 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9513 -1.6052 -1.4799 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