3-(oxolan-2-yl)pyran-2,5-dione

C9H10O4 — CID 174491793

IUPAC3-(oxolan-2-yl)pyran-2,5-dione
SMILESO=C1C=C(C2CCCO2)C(=O)OC1
InChIInChI=1S/C9H10O4/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4,8H,1-3,5H2
InChIKeyCVWVYSVWKGTRMA-UHFFFAOYSA-N
MW182.17 g/mol
LogP0.22
Rot. Bonds1

About 3-(oxolan-2-yl)pyran-2,5-dione

3-(oxolan-2-yl)pyran-2,5-dione (PubChem CID 174491793) has the molecular formula C9H10O4 and a molecular weight of 182.17 g/mol. Its IUPAC name is 3-(oxolan-2-yl)pyran-2,5-dione.

Molecular Properties

Compound Name3-(oxolan-2-yl)pyran-2,5-dione
PubChem CID174491793
Molecular FormulaC9H10O4
Molecular Weight182.17 g/mol
Exact Mass182.06
IUPAC Name3-(oxolan-2-yl)pyran-2,5-dione
SMILESO=C1C=C(C2CCCO2)C(=O)OC1
InChIInChI=1S/C9H10O4/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4,8H,1-3,5H2
InChIKeyCVWVYSVWKGTRMA-UHFFFAOYSA-N
XLogP0.22
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)pyran-2,5-dione?
The IUPAC name of 3-(oxolan-2-yl)pyran-2,5-dione (CID 174491793) is 3-(oxolan-2-yl)pyran-2,5-dione.
What is the SMILES notation for 3-(oxolan-2-yl)pyran-2,5-dione?
The canonical SMILES for 3-(oxolan-2-yl)pyran-2,5-dione is O=C1C=C(C2CCCO2)C(=O)OC1.
What is the InChIKey of 3-(oxolan-2-yl)pyran-2,5-dione?
The InChIKey is CVWVYSVWKGTRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O4/c10-6-4-7(9(11)13-5-6)8-2-1-3-12-8/h4,8H,1-3,5H2.
What are the key properties of 3-(oxolan-2-yl)pyran-2,5-dione?
3-(oxolan-2-yl)pyran-2,5-dione has a molecular weight of 182.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)pyran-2,5-dione is sourced from PubChem (CID 174491793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).