2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one

C9H8O4 — CID 15765571

IUPAC2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C2=CC(=O)OC2)C1
InChIInChI=1S/C9H8O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h1-3,8H,4-5H2
InChIKeyFVXFGBPFNVIXLW-UHFFFAOYSA-N
MW180.16 g/mol
LogP0.34
Rot. Bonds1

About 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one

2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one (PubChem CID 15765571) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one.

Molecular Properties

Compound Name2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
PubChem CID15765571
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one
SMILESO=C1C=COC(C2=CC(=O)OC2)C1
InChIInChI=1S/C9H8O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h1-3,8H,4-5H2
InChIKeyFVXFGBPFNVIXLW-UHFFFAOYSA-N
XLogP0.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Zrbiijnqslhraq-uhfffaoysa-
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Methyl 2-ethenyl-5-(2-methoxy-2-oxoethyl)-2,3-dihydrofuran-4-carboxylate
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dimethyl (Z)-2-(oxolan-2-yl)but-2-enedioate
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(5-Oxocyclopent-1-en-1-yl)methyl but-2-enoate
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ethyl (Z)-3-(3-oxocyclohexen-1-yl)oxyprop-2-enoate
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ethyl (E)-3-[(6-oxocyclohexen-1-yl)methoxy]prop-2-enoate
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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The IUPAC name of 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one (CID 15765571) is 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one.
What is the SMILES notation for 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The canonical SMILES for 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one is O=C1C=COC(C2=CC(=O)OC2)C1.
What is the InChIKey of 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
The InChIKey is FVXFGBPFNVIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-7-1-2-12-8(4-7)6-3-9(11)13-5-6/h1-3,8H,4-5H2.
What are the key properties of 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one?
2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one has a molecular weight of 180.16 g/mol, XLogP of 0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-2H-furan-3-yl)-2,3-dihydropyran-4-one is sourced from PubChem (CID 15765571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).