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
2.3769 0.2808 -1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6128 -0.6904 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4160 -0.3925 -0.1586 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0802 0.9568 0.1235 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 0.8102 0.5605 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6464 -0.5986 1.0301 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5137 -1.3169 0.3897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4393 -2.5669 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3048 0.0736 -1.8487 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0737 1.3067 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9309 -1.7035 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5973 1.3888 0.8872 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0042 1.5280 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1503 1.0091 -0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7876 1.5210 1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5867 -0.6238 2.1395 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6195 -0.9824 0.6599 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