4,7-dimethylfuro[2,3-c]pyran-2-one

C9H8O3 — CID 69449019

IUPAC4,7-dimethylfuro[2,3-c]pyran-2-one
SMILESCc1coc(C)c2oc(=O)cc1-2
InChIInChI=1S/C9H8O3/c1-5-4-11-6(2)9-7(5)3-8(10)12-9/h3-4H,1-2H3
InChIKeyKTQFRRXVFQNPCC-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.95
Rot. Bonds

About 4,7-dimethylfuro[2,3-c]pyran-2-one

4,7-dimethylfuro[2,3-c]pyran-2-one (PubChem CID 69449019) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4,7-dimethylfuro[2,3-c]pyran-2-one.

Molecular Properties

Compound Name4,7-dimethylfuro[2,3-c]pyran-2-one
PubChem CID69449019
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name4,7-dimethylfuro[2,3-c]pyran-2-one
SMILESCc1coc(C)c2oc(=O)cc1-2
InChIInChI=1S/C9H8O3/c1-5-4-11-6(2)9-7(5)3-8(10)12-9/h3-4H,1-2H3
InChIKeyKTQFRRXVFQNPCC-UHFFFAOYSA-N
XLogP1.95
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethylfuro[2,3-c]pyran-2-one?
The IUPAC name of 4,7-dimethylfuro[2,3-c]pyran-2-one (CID 69449019) is 4,7-dimethylfuro[2,3-c]pyran-2-one.
What is the SMILES notation for 4,7-dimethylfuro[2,3-c]pyran-2-one?
The canonical SMILES for 4,7-dimethylfuro[2,3-c]pyran-2-one is Cc1coc(C)c2oc(=O)cc1-2.
What is the InChIKey of 4,7-dimethylfuro[2,3-c]pyran-2-one?
The InChIKey is KTQFRRXVFQNPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-5-4-11-6(2)9-7(5)3-8(10)12-9/h3-4H,1-2H3.
What are the key properties of 4,7-dimethylfuro[2,3-c]pyran-2-one?
4,7-dimethylfuro[2,3-c]pyran-2-one has a molecular weight of 164.16 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethylfuro[2,3-c]pyran-2-one is sourced from PubChem (CID 69449019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).