3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one

C14H19NO3S — CID 71981321

IUPAC3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(SCc2ccco2)CCN1C1CCOCC1
InChIInChI=1S/C14H19NO3S/c16-14-13(19-10-12-2-1-7-18-12)3-6-15(14)11-4-8-17-9-5-11/h1-2,7,11,13H,3-6,8-10H2
InChIKeyZSZAOGNJFFKAAQ-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.29
Rot. Bonds4

About 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one

3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one (PubChem CID 71981321) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one
PubChem CID71981321
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one
SMILESO=C1C(SCc2ccco2)CCN1C1CCOCC1
InChIInChI=1S/C14H19NO3S/c16-14-13(19-10-12-2-1-7-18-12)3-6-15(14)11-4-8-17-9-5-11/h1-2,7,11,13H,3-6,8-10H2
InChIKeyZSZAOGNJFFKAAQ-UHFFFAOYSA-N
XLogP2.29
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The IUPAC name of 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one (CID 71981321) is 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The canonical SMILES for 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one is O=C1C(SCc2ccco2)CCN1C1CCOCC1.
What is the InChIKey of 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one?
The InChIKey is ZSZAOGNJFFKAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c16-14-13(19-10-12-2-1-7-18-12)3-6-15(14)11-4-8-17-9-5-11/h1-2,7,11,13H,3-6,8-10H2.
What are the key properties of 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one?
3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one has a molecular weight of 281.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylsulfanyl)-1-(oxan-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).