formyloxidanium

CH3O2+ — CID 5150143

IUPACformyloxidanium
SMILESO=C[OH2+]
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p+1
InChIKeyBDAGIHXWWSANSR-UHFFFAOYSA-O
MW47.03 g/mol
LogP-1.13
Rot. Bonds

About formyloxidanium

formyloxidanium (PubChem CID 5150143) has the molecular formula CH3O2+ and a molecular weight of 47.03 g/mol. Its IUPAC name is formyloxidanium.

Molecular Properties

Compound Nameformyloxidanium
PubChem CID5150143
Molecular FormulaCH3O2+
Molecular Weight47.03 g/mol
Exact Mass47.01
IUPAC Nameformyloxidanium
SMILESO=C[OH2+]
InChIInChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p+1
InChIKeyBDAGIHXWWSANSR-UHFFFAOYSA-O
XLogP-1.13
TPSA39.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50047.03
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formyloxidanium?
The IUPAC name of formyloxidanium (CID 5150143) is formyloxidanium.
What is the SMILES notation for formyloxidanium?
The canonical SMILES for formyloxidanium is O=C[OH2+].
What is the InChIKey of formyloxidanium?
The InChIKey is BDAGIHXWWSANSR-UHFFFAOYSA-O. The full InChI is InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)/p+1.
What are the key properties of formyloxidanium?
formyloxidanium has a molecular weight of 47.03 g/mol, XLogP of -1.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxidanium is sourced from PubChem (CID 5150143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).