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
2.6280 0.7277 0.2036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9021 -0.2235 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4795 -0.2247 -0.2418 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2788 0.7893 0.4644 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7162 0.4356 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7432 -0.9489 -0.2682 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3932 -1.1947 -0.7957 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1144 -2.1220 -1.5995 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1210 1.5224 0.7505 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7018 0.7028 0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4393 -0.9948 -0.8836 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0898 0.8191 1.5019 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0806 1.7502 -0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2495 1.1337 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2379 0.4942 1.3001 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0071 -1.6513 0.5657 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5405 -1.0152 -1.0171 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