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
2.6535 0.2380 -0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7857 -0.7423 -0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4017 -0.3911 0.0494 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0881 0.9574 0.1119 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5152 0.8393 -0.3168 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9240 -0.5348 0.1714 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 -1.3344 0.1048 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5300 -2.5738 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3816 1.2732 -0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6971 -0.0212 -0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0901 -1.7865 -0.0995 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0748 1.2503 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4712 1.6789 -0.5121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6195 0.8835 -1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0907 1.6518 0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7195 -0.9877 -0.4215 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2386 -0.4006 1.2384 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