3-(5-oxooxolan-2-yl)pyran-2-one

C9H8O4 — CID 151864925

IUPAC3-(5-oxooxolan-2-yl)pyran-2-one
SMILESO=C1CCC(c2cccoc2=O)O1
InChIInChI=1S/C9H8O4/c10-8-4-3-7(13-8)6-2-1-5-12-9(6)11/h1-2,5,7H,3-4H2
InChIKeySLMAMARUBDMZHJ-UHFFFAOYSA-N
MW180.16 g/mol
LogP1.02
Rot. Bonds1

About 3-(5-oxooxolan-2-yl)pyran-2-one

3-(5-oxooxolan-2-yl)pyran-2-one (PubChem CID 151864925) has the molecular formula C9H8O4 and a molecular weight of 180.16 g/mol. Its IUPAC name is 3-(5-oxooxolan-2-yl)pyran-2-one.

Molecular Properties

Compound Name3-(5-oxooxolan-2-yl)pyran-2-one
PubChem CID151864925
Molecular FormulaC9H8O4
Molecular Weight180.16 g/mol
Exact Mass180.04
IUPAC Name3-(5-oxooxolan-2-yl)pyran-2-one
SMILESO=C1CCC(c2cccoc2=O)O1
InChIInChI=1S/C9H8O4/c10-8-4-3-7(13-8)6-2-1-5-12-9(6)11/h1-2,5,7H,3-4H2
InChIKeySLMAMARUBDMZHJ-UHFFFAOYSA-N
XLogP1.02
TPSA56.51 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 ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxooxolan-2-yl)pyran-2-one?
The IUPAC name of 3-(5-oxooxolan-2-yl)pyran-2-one (CID 151864925) is 3-(5-oxooxolan-2-yl)pyran-2-one.
What is the SMILES notation for 3-(5-oxooxolan-2-yl)pyran-2-one?
The canonical SMILES for 3-(5-oxooxolan-2-yl)pyran-2-one is O=C1CCC(c2cccoc2=O)O1.
What is the InChIKey of 3-(5-oxooxolan-2-yl)pyran-2-one?
The InChIKey is SLMAMARUBDMZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O4/c10-8-4-3-7(13-8)6-2-1-5-12-9(6)11/h1-2,5,7H,3-4H2.
What are the key properties of 3-(5-oxooxolan-2-yl)pyran-2-one?
3-(5-oxooxolan-2-yl)pyran-2-one has a molecular weight of 180.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxooxolan-2-yl)pyran-2-one is sourced from PubChem (CID 151864925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).