(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite

C6H10FNO2S — CID 142573288

IUPAC(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
SMILESCOC1CC(SF)C(=O)N1C
InChIInChI=1S/C6H10FNO2S/c1-8-5(10-2)3-4(11-7)6(8)9/h4-5H,3H2,1-2H3
InChIKeyQMIUFGVBJLHROV-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.81
Rot. Bonds2

About (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite

(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite (PubChem CID 142573288) has the molecular formula C6H10FNO2S and a molecular weight of 179.22 g/mol. Its IUPAC name is (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite.

Molecular Properties

Compound Name(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
PubChem CID142573288
Molecular FormulaC6H10FNO2S
Molecular Weight179.22 g/mol
Exact Mass179.04
IUPAC Name(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite
SMILESCOC1CC(SF)C(=O)N1C
InChIInChI=1S/C6H10FNO2S/c1-8-5(10-2)3-4(11-7)6(8)9/h4-5H,3H2,1-2H3
InChIKeyQMIUFGVBJLHROV-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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CID 142573287
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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite?
The IUPAC name of (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite (CID 142573288) is (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite.
What is the SMILES notation for (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite?
The canonical SMILES for (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite is COC1CC(SF)C(=O)N1C.
What is the InChIKey of (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite?
The InChIKey is QMIUFGVBJLHROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO2S/c1-8-5(10-2)3-4(11-7)6(8)9/h4-5H,3H2,1-2H3.
What are the key properties of (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite?
(5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite has a molecular weight of 179.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methyl-2-oxopyrrolidin-3-yl) thiohypofluorite is sourced from PubChem (CID 142573288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).