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
2.5869 -0.2790 0.9004 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9120 0.0286 -0.1802 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4816 -0.0496 -0.2404 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4291 -0.4563 0.8113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6463 0.4232 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7670 0.1437 -0.9989 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3115 0.2676 -1.3752 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0884 0.6001 -2.5177 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0586 -0.5987 1.7662 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6454 -0.2114 0.9154 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4450 0.3585 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7402 -1.5237 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0428 -0.2829 1.8136 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3160 1.4596 0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5259 0.1300 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0534 -0.8980 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3858 0.8882 -1.5164 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