3,3a-dihydrofuro[3,2-b]pyran-2-one

C7H6O3 — CID 171665631

IUPAC3,3a-dihydrofuro[3,2-b]pyran-2-one
SMILESO=C1CC2OC=CC=C2O1
InChIInChI=1S/C7H6O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-3,6H,4H2
InChIKeyMOLIVXNITHHZRP-UHFFFAOYSA-N
MW138.12 g/mol
LogP0.73
Rot. Bonds

About 3,3a-dihydrofuro[3,2-b]pyran-2-one

3,3a-dihydrofuro[3,2-b]pyran-2-one (PubChem CID 171665631) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 3,3a-dihydrofuro[3,2-b]pyran-2-one.

Molecular Properties

Compound Name3,3a-dihydrofuro[3,2-b]pyran-2-one
PubChem CID171665631
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name3,3a-dihydrofuro[3,2-b]pyran-2-one
SMILESO=C1CC2OC=CC=C2O1
InChIInChI=1S/C7H6O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-3,6H,4H2
InChIKeyMOLIVXNITHHZRP-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Furo[3,4-b]pyran-5(7h)-one
CID 129857638
3-Cyclohexa-1,5-dien-1-yloxyoxolan-2-one
CID 89075806
(3aS,7aS)-3,3a,5,7a-tetrahydrofuro[3,2-b]pyran-2-one
CID 14139064

Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydrofuro[3,2-b]pyran-2-one?
The IUPAC name of 3,3a-dihydrofuro[3,2-b]pyran-2-one (CID 171665631) is 3,3a-dihydrofuro[3,2-b]pyran-2-one.
What is the SMILES notation for 3,3a-dihydrofuro[3,2-b]pyran-2-one?
The canonical SMILES for 3,3a-dihydrofuro[3,2-b]pyran-2-one is O=C1CC2OC=CC=C2O1.
What is the InChIKey of 3,3a-dihydrofuro[3,2-b]pyran-2-one?
The InChIKey is MOLIVXNITHHZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-7-4-6-5(10-7)2-1-3-9-6/h1-3,6H,4H2.
What are the key properties of 3,3a-dihydrofuro[3,2-b]pyran-2-one?
3,3a-dihydrofuro[3,2-b]pyran-2-one has a molecular weight of 138.12 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydrofuro[3,2-b]pyran-2-one is sourced from PubChem (CID 171665631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).