2H-pyran-5-one

C5H6O2 — CID 4672596

IUPAC2H-pyran-5-one
SMILESO=C1C=CCOC1
InChIInChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2H,3-4H2
InChIKeyYYRYKNXDWXDXSN-UHFFFAOYSA-N
MW98.10 g/mol
LogP0.14
Rot. Bonds

About 2H-pyran-5-one

2H-pyran-5-one (PubChem CID 4672596) has the molecular formula C5H6O2 and a molecular weight of 98.10 g/mol. Its IUPAC name is 2H-pyran-5-one.

Molecular Properties

Compound Name2H-pyran-5-one
PubChem CID4672596
Molecular FormulaC5H6O2
Molecular Weight98.10 g/mol
Exact Mass98.04
IUPAC Name2H-pyran-5-one
SMILESO=C1C=CCOC1
InChIInChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2H,3-4H2
InChIKeyYYRYKNXDWXDXSN-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-5-one?
The IUPAC name of 2H-pyran-5-one (CID 4672596) is 2H-pyran-5-one.
What is the SMILES notation for 2H-pyran-5-one?
The canonical SMILES for 2H-pyran-5-one is O=C1C=CCOC1.
What is the InChIKey of 2H-pyran-5-one?
The InChIKey is YYRYKNXDWXDXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O2/c6-5-2-1-3-7-4-5/h1-2H,3-4H2.
What are the key properties of 2H-pyran-5-one?
2H-pyran-5-one has a molecular weight of 98.10 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-5-one is sourced from PubChem (CID 4672596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).