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
2.7023 -0.2364 -0.1836 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7244 -0.5068 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3766 -0.2171 0.3549 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0661 0.4050 -0.9017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5655 0.1902 -0.8824 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8452 0.3656 0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7556 -0.4638 1.1798 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8304 -1.2229 2.1788 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5327 0.2222 -1.1487 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7237 -0.4709 0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9555 -0.9642 1.6021 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1238 1.4823 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3941 -0.1341 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8582 -0.8352 -1.1282 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1060 0.9652 -1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6596 1.4205 0.8494 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8467 0.0004 0.8811 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