2-(furan-2-yl)-2,3-dihydropyran-6-one

C9H8O3 — CID 56678880

IUPAC2-(furan-2-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccco2)O1
InChIInChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2
InChIKeyYPYRZNTXRLBRIR-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.82
Rot. Bonds1

About 2-(furan-2-yl)-2,3-dihydropyran-6-one

2-(furan-2-yl)-2,3-dihydropyran-6-one (PubChem CID 56678880) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(furan-2-yl)-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(furan-2-yl)-2,3-dihydropyran-6-one
PubChem CID56678880
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2-(furan-2-yl)-2,3-dihydropyran-6-one
SMILESO=C1C=CCC(c2ccco2)O1
InChIInChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2
InChIKeyYPYRZNTXRLBRIR-UHFFFAOYSA-N
XLogP1.82
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-furoate
CID 11902
Furfural acetate
CID 12170
Furfuryl butyrate
CID 61167
2-Furyl pentyl ketone
CID 61738
2-Butyrylfuran
CID 228588
2-Pentanoylfuran
CID 231325
Propyl 2-furoate
CID 11982
Allyl furoate
CID 61337
Ethyl 2-furanpropionate
CID 61450
Furfuryl ethyl ether
CID 80455
Furfuryl propionate
CID 61166
Furfuryl methyl ether
CID 61661

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2,3-dihydropyran-6-one?
The IUPAC name of 2-(furan-2-yl)-2,3-dihydropyran-6-one (CID 56678880) is 2-(furan-2-yl)-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(furan-2-yl)-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(furan-2-yl)-2,3-dihydropyran-6-one is O=C1C=CCC(c2ccco2)O1.
What is the InChIKey of 2-(furan-2-yl)-2,3-dihydropyran-6-one?
The InChIKey is YPYRZNTXRLBRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c10-9-5-1-3-8(12-9)7-4-2-6-11-7/h1-2,4-6,8H,3H2.
What are the key properties of 2-(furan-2-yl)-2,3-dihydropyran-6-one?
2-(furan-2-yl)-2,3-dihydropyran-6-one has a molecular weight of 164.16 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2,3-dihydropyran-6-one is sourced from PubChem (CID 56678880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).