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
2.6073 0.6384 -0.3595 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7225 -0.2212 -0.8306 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4170 -0.2041 -0.2794 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0762 0.6665 0.7666 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5606 0.5198 0.6907 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8297 -0.8600 0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6249 -1.0842 -0.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6063 -1.9346 -1.6313 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3686 1.3487 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6066 0.6691 -0.7389 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0187 -0.9020 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2606 1.6943 0.5164 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2998 0.3464 1.7753 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9657 0.5344 1.7358 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0743 1.3120 0.1284 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7121 -0.9247 -0.4942 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8515 -1.5989 0.9817 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