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
2.5698 -1.2024 0.4732 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6824 -0.2367 0.1067 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4328 -0.4943 -0.3479 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1087 1.2324 -0.3089 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2741 0.9925 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9952 -0.1682 -0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 -0.7538 -0.8059 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9307 -1.5449 -1.8523 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5275 -0.9687 0.8174 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2250 -2.2068 0.3818 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1553 0.7385 0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2390 1.3588 -1.3194 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7814 1.5788 0.1756 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9044 0.5881 1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9499 1.8496 0.6748 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7954 0.1588 -0.7853 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3508 -0.9217 0.6176 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