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
2.7918 -0.1899 0.5006 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6221 0.4673 0.2467 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5847 -0.2248 -0.3201 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6183 1.1127 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4280 0.2857 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7764 -0.8242 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4475 -0.9134 -0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2158 -1.6534 -1.9536 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8725 -1.2345 0.2521 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6027 0.3663 0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6617 1.5052 0.4829 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 1.8403 0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9075 1.1194 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7635 -0.2242 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3312 0.7195 1.1562 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5674 -0.4188 -0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1018 -1.7333 0.2517 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