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
2.6699 -0.0620 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7646 -0.7991 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4416 -0.2883 0.2867 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0465 1.0145 -0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5010 0.7388 -0.4588 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9353 -0.4260 0.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6558 -0.9440 0.9089 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5447 -1.8432 1.7998 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3986 0.9381 -0.8454 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6740 -0.4420 -0.6846 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0469 -1.7905 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4355 1.4504 -0.9694 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0873 1.7160 0.7741 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1478 1.6148 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5231 0.5061 -1.5643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3263 -1.2146 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6634 -0.1690 1.1560 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