3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one

C8H10O3 — CID 11412491

IUPAC3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one
SMILESCC1=C2CCCOC2OC1=O
InChIInChI=1S/C8H10O3/c1-5-6-3-2-4-10-8(6)11-7(5)9/h8H,2-4H2,1H3
InChIKeyFDQBAGMBMQHWGX-UHFFFAOYSA-N
MW154.16 g/mol
LogP1.00
Rot. Bonds

About 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one

3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one (PubChem CID 11412491) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one.

Molecular Properties

Compound Name3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one
PubChem CID11412491
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one
SMILESCC1=C2CCCOC2OC1=O
InChIInChI=1S/C8H10O3/c1-5-6-3-2-4-10-8(6)11-7(5)9/h8H,2-4H2,1H3
InChIKeyFDQBAGMBMQHWGX-UHFFFAOYSA-N
XLogP1.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The IUPAC name of 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one (CID 11412491) is 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one.
What is the SMILES notation for 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The canonical SMILES for 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one is CC1=C2CCCOC2OC1=O.
What is the InChIKey of 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one?
The InChIKey is FDQBAGMBMQHWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-6-3-2-4-10-8(6)11-7(5)9/h8H,2-4H2,1H3.
What are the key properties of 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one?
3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one has a molecular weight of 154.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,7a-tetrahydrofuro[2,3-b]pyran-2-one is sourced from PubChem (CID 11412491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).