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
2.5812 -0.8560 0.3144 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8417 -0.2489 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4501 -0.0258 -0.4302 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3144 -0.4287 0.7336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7295 -0.0179 0.4192 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5981 1.0751 -0.6259 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3971 0.6216 -1.3743 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1243 0.7533 -2.5987 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0641 -1.1847 1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6349 -1.0193 0.1778 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3359 0.0829 -1.4933 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0086 0.0993 1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3146 -1.5233 0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2795 0.3323 1.3142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3244 -0.8381 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4880 1.1695 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3466 2.0086 -0.0728 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