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
2.5511 0.3193 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3581 0.6705 -0.6782 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3159 -0.1378 -0.6485 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7245 0.9716 0.2911 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8175 0.0170 1.3978 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4840 -1.1588 0.6395 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -0.9900 -0.6171 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1250 -1.6027 -1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3401 1.0061 -1.2549 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5957 -0.6416 -1.6949 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4475 1.7058 -0.2857 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4729 1.1119 -0.4114 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0302 1.7438 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1629 -0.3267 1.7164 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4825 0.3170 2.2274 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 -0.9301 0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2810 -2.0754 1.2093 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