5,7-dimethylfuro[2,3-c]pyran-6-ium

C9H9O2+ — CID 15256760

IUPAC5,7-dimethylfuro[2,3-c]pyran-6-ium
SMILESCc1cc2ccoc2c(C)[o+]1
InChIInChI=1S/C9H9O2/c1-6-5-8-3-4-10-9(8)7(2)11-6/h3-5H,1-2H3/q+1
InChIKeyXLRAEVPNHNMJEB-UHFFFAOYSA-N
MW149.17 g/mol
LogP2.92
Rot. Bonds

About 5,7-dimethylfuro[2,3-c]pyran-6-ium

5,7-dimethylfuro[2,3-c]pyran-6-ium (PubChem CID 15256760) has the molecular formula C9H9O2+ and a molecular weight of 149.17 g/mol. Its IUPAC name is 5,7-dimethylfuro[2,3-c]pyran-6-ium.

Molecular Properties

Compound Name5,7-dimethylfuro[2,3-c]pyran-6-ium
PubChem CID15256760
Molecular FormulaC9H9O2+
Molecular Weight149.17 g/mol
Exact Mass149.06
IUPAC Name5,7-dimethylfuro[2,3-c]pyran-6-ium
SMILESCc1cc2ccoc2c(C)[o+]1
InChIInChI=1S/C9H9O2/c1-6-5-8-3-4-10-9(8)7(2)11-6/h3-5H,1-2H3/q+1
InChIKeyXLRAEVPNHNMJEB-UHFFFAOYSA-N
XLogP2.92
TPSA24.44 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.17
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

5-methyl-6H-furo[2,3-c]pyridin-7-one
CID 143293213
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7-bromo-5-ethyl-1-benzofuran
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5-phenylbenzo[g][1]benzofuran
CID 12588747
7-methyl-6-phenyl-1-benzofuran
CID 138519156
5,7-di(propan-2-yl)-1-benzofuran
CID 58779354
7-ethyl-1-benzofuran-5-carboxylic acid
CID 83817922
5-propan-2-yl-1-benzofuran-7-amine
CID 146232668
5-chloro-7-methoxy-1-benzofuran
CID 123860132
7-chloro-5-propan-2-yl-1-benzofuran
CID 129148915
7-(chloromethyl)-5-methylsulfonyl-1-benzofuran
CID 143063932

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylfuro[2,3-c]pyran-6-ium?
The IUPAC name of 5,7-dimethylfuro[2,3-c]pyran-6-ium (CID 15256760) is 5,7-dimethylfuro[2,3-c]pyran-6-ium.
What is the SMILES notation for 5,7-dimethylfuro[2,3-c]pyran-6-ium?
The canonical SMILES for 5,7-dimethylfuro[2,3-c]pyran-6-ium is Cc1cc2ccoc2c(C)[o+]1.
What is the InChIKey of 5,7-dimethylfuro[2,3-c]pyran-6-ium?
The InChIKey is XLRAEVPNHNMJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9O2/c1-6-5-8-3-4-10-9(8)7(2)11-6/h3-5H,1-2H3/q+1.
What are the key properties of 5,7-dimethylfuro[2,3-c]pyran-6-ium?
5,7-dimethylfuro[2,3-c]pyran-6-ium has a molecular weight of 149.17 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylfuro[2,3-c]pyran-6-ium is sourced from PubChem (CID 15256760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).