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
2.5624 0.9013 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8572 0.1143 -0.3806 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4361 0.0376 -0.3573 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4884 0.7809 0.4862 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4449 -0.3293 0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7652 -0.8642 -0.5386 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4069 -0.7857 -1.1556 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0159 -1.3439 -2.2190 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1075 1.5569 1.1075 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6297 0.9043 0.3153 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3739 -0.5216 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0846 1.5064 -0.1251 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0007 1.2486 1.3489 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8588 -1.0914 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3361 0.0085 1.3827 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4896 -0.2028 -1.0088 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0755 -1.9198 -0.4560 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