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
2.6730 0.4746 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8896 -0.3561 -0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4781 -0.1892 -0.3563 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2438 0.8563 0.3249 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6871 0.4509 0.3455 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8217 -0.8060 -0.4724 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4450 -1.0237 -1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2375 -1.8361 -1.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1956 1.3003 0.8708 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7381 0.3778 0.3546 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3803 -1.1601 -0.8734 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0875 1.8519 -0.1453 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1150 0.9068 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2746 1.2677 -0.1366 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0769 0.2718 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0770 -1.6713 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5186 -0.7153 -1.3179 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