2,3-dihydropyran-6-one

C5H6O2 — CID 520660

IUPAC2,3-dihydropyran-6-one
SMILESO=C1C=CCCO1
InChIInChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyQBDAFARLDLCWAT-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.49
Rot. Bonds

About 2,3-dihydropyran-6-one

2,3-dihydropyran-6-one (PubChem CID 520660) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2,3-dihydropyran-6-one
PubChem CID520660
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2,3-dihydropyran-6-one
SMILESO=C1C=CCCO1
InChIInChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2
InChIKeyQBDAFARLDLCWAT-UHFFFAOYSA-N
XLogP0.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyran-6-one?
The IUPAC name of 2,3-dihydropyran-6-one (CID 520660) is 2,3-dihydropyran-6-one.
What is the SMILES notation for 2,3-dihydropyran-6-one?
The canonical SMILES for 2,3-dihydropyran-6-one is O=C1C=CCCO1.
What is the InChIKey of 2,3-dihydropyran-6-one?
The InChIKey is QBDAFARLDLCWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1,3H,2,4H2.
What are the key properties of 2,3-dihydropyran-6-one?
2,3-dihydropyran-6-one has a molecular weight of 98.10 g/mol, XLogP of 0.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyran-6-one is sourced from PubChem (CID 520660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).