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

C8H6O3 — CID 11389479

IUPAC7-methylfuro[2,3-c]pyran-2-one
SMILESCc1occc2cc(=O)oc1-2
InChIInChI=1S/C8H6O3/c1-5-8-6(2-3-10-5)4-7(9)11-8/h2-4H,1H3
InChIKeyHPMLSVLIQNWSMA-UHFFFAOYSA-N
MW150.13 g/mol
LogP1.65
Rot. Bonds

About 7-methylfuro[2,3-c]pyran-2-one

7-methylfuro[2,3-c]pyran-2-one (PubChem CID 11389479) has the molecular formula C8H6O3 and a molecular weight of 150.13 g/mol. Its IUPAC name is 7-methylfuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name7-methylfuro[2,3-c]pyran-2-one
PubChem CID11389479
Molecular FormulaC8H6O3
Molecular Weight150.13 g/mol
Exact Mass150.03
IUPAC Name7-methylfuro[2,3-c]pyran-2-one
SMILESCc1occc2cc(=O)oc1-2
InChIInChI=1S/C8H6O3/c1-5-8-6(2-3-10-5)4-7(9)11-8/h2-4H,1H3
InChIKeyHPMLSVLIQNWSMA-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 7-methylfuro[2,3-c]pyran-2-one?
The IUPAC name of 7-methylfuro[2,3-c]pyran-2-one (CID 11389479) is 7-methylfuro[2,3-c]pyran-2-one.
What is the SMILES notation for 7-methylfuro[2,3-c]pyran-2-one?
The canonical SMILES for 7-methylfuro[2,3-c]pyran-2-one is Cc1occc2cc(=O)oc1-2.
What is the InChIKey of 7-methylfuro[2,3-c]pyran-2-one?
The InChIKey is HPMLSVLIQNWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O3/c1-5-8-6(2-3-10-5)4-7(9)11-8/h2-4H,1H3.
What are the key properties of 7-methylfuro[2,3-c]pyran-2-one?
7-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 7-methylfuro[2,3-c]pyran-2-one is sourced from PubChem (CID 11389479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).