2H-pyran-1-ium-2-ol

C5H7O2+ — CID 139242841

IUPAC2H-pyran-1-ium-2-ol
SMILESOC1C=CC=C[OH+]1
InChIInChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-6H/p+1
InChIKeyGSSXLFACIJSBOM-UHFFFAOYSA-O
MW99.11 g/mol
LogP-0.08
Rot. Bonds

About 2H-pyran-1-ium-2-ol

2H-pyran-1-ium-2-ol (PubChem CID 139242841) has the molecular formula C5H7O2+ and a molecular weight of 99.11 g/mol. Its IUPAC name is 2H-pyran-1-ium-2-ol.

Molecular Properties

Compound Name2H-pyran-1-ium-2-ol
PubChem CID139242841
Molecular FormulaC5H7O2+
Molecular Weight99.11 g/mol
Exact Mass99.04
IUPAC Name2H-pyran-1-ium-2-ol
SMILESOC1C=CC=C[OH+]1
InChIInChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-6H/p+1
InChIKeyGSSXLFACIJSBOM-UHFFFAOYSA-O
XLogP-0.08
TPSA33.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-pyran-1-ium-2-ol?
The IUPAC name of 2H-pyran-1-ium-2-ol (CID 139242841) is 2H-pyran-1-ium-2-ol.
What is the SMILES notation for 2H-pyran-1-ium-2-ol?
The canonical SMILES for 2H-pyran-1-ium-2-ol is OC1C=CC=C[OH+]1.
What is the InChIKey of 2H-pyran-1-ium-2-ol?
The InChIKey is GSSXLFACIJSBOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6O2/c6-5-3-1-2-4-7-5/h1-6H/p+1.
What are the key properties of 2H-pyran-1-ium-2-ol?
2H-pyran-1-ium-2-ol has a molecular weight of 99.11 g/mol, XLogP of -0.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyran-1-ium-2-ol is sourced from PubChem (CID 139242841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).