5-methylfuro[2,3-c]pyran-2-one

C8H6O3 — CID 11435036

IUPAC5-methylfuro[2,3-c]pyran-2-one
SMILESCc1cc2cc(=O)oc-2co1
InChIInChI=1S/C8H6O3/c1-5-2-6-3-8(9)11-7(6)4-10-5/h2-4H,1H3
InChIKeyTVRISNATFQZGQF-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.65
Rot. Bonds

About 5-methylfuro[2,3-c]pyran-2-one

5-methylfuro[2,3-c]pyran-2-one (PubChem CID 11435036) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 5-methylfuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name5-methylfuro[2,3-c]pyran-2-one
PubChem CID11435036
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name5-methylfuro[2,3-c]pyran-2-one
SMILESCc1cc2cc(=O)oc-2co1
InChIInChI=1S/C8H6O3/c1-5-2-6-3-8(9)11-7(6)4-10-5/h2-4H,1H3
InChIKeyTVRISNATFQZGQF-UHFFFAOYSA-N
XLogP1.65
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.13
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylfuro[2,3-c]pyran-2-one?
The IUPAC name of 5-methylfuro[2,3-c]pyran-2-one (CID 11435036) is 5-methylfuro[2,3-c]pyran-2-one.
What is the SMILES notation for 5-methylfuro[2,3-c]pyran-2-one?
The canonical SMILES for 5-methylfuro[2,3-c]pyran-2-one is Cc1cc2cc(=O)oc-2co1.
What is the InChIKey of 5-methylfuro[2,3-c]pyran-2-one?
The InChIKey is TVRISNATFQZGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c1-5-2-6-3-8(9)11-7(6)4-10-5/h2-4H,1H3.
What are the key properties of 5-methylfuro[2,3-c]pyran-2-one?
5-methylfuro[2,3-c]pyran-2-one has a molecular weight of 150.13 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuro[2,3-c]pyran-2-one is sourced from PubChem (CID 11435036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).