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
2.5458 0.0548 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8889 -0.1783 0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4765 -0.1991 0.2232 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3774 0.0261 -0.9497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 0.2084 -0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6377 0.2351 1.0996 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3348 -0.4392 1.3515 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0079 -1.1086 2.3887 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0015 0.2334 -1.8009 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6163 0.0680 -0.8958 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4288 -0.3582 1.1136 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3022 -0.9077 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 0.9158 -1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1889 1.1703 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4042 -0.6495 -0.6913 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4064 -0.3444 1.6277 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5317 1.2731 1.4660 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