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
1.1459 1.8507 1.6096 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8593 1.6905 0.3368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1562 0.5401 -0.1282 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -0.5253 0.7671 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3502 -1.7033 -0.1821 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9686 -1.0518 -1.4026 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2248 0.2250 -1.4593 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0248 0.9020 -2.4769 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8625 1.1166 2.3716 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6800 2.7395 1.9106 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1644 2.4457 -0.3601 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4278 -0.7105 1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3232 -0.3587 1.1292 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6749 -2.0354 -0.4317 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9844 -2.5301 0.2081 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8118 -1.6797 -2.2997 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0454 -0.9151 -1.1826 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