methoxycarbonyl(methylidene)oxidanium

C3H5O3+ — CID 22979578

IUPACmethoxycarbonyl(methylidene)oxidanium
SMILESC=[O+]C(=O)OC
InChIInChI=1S/C3H5O3/c1-5-3(4)6-2/h1H2,2H3/q+1
InChIKeyHTNQDSWPZYMRIM-UHFFFAOYSA-N
MW89.07 g/mol
LogP0.12
Rot. Bonds

About methoxycarbonyl(methylidene)oxidanium

methoxycarbonyl(methylidene)oxidanium (PubChem CID 22979578) has the molecular formula C3H5O3+ and a molecular weight of 89.07 g/mol. Its IUPAC name is methoxycarbonyl(methylidene)oxidanium.

Molecular Properties

Compound Namemethoxycarbonyl(methylidene)oxidanium
PubChem CID22979578
Molecular FormulaC3H5O3+
Molecular Weight89.07 g/mol
Exact Mass89.02
IUPAC Namemethoxycarbonyl(methylidene)oxidanium
SMILESC=[O+]C(=O)OC
InChIInChI=1S/C3H5O3/c1-5-3(4)6-2/h1H2,2H3/q+1
InChIKeyHTNQDSWPZYMRIM-UHFFFAOYSA-N
XLogP0.12
TPSA37.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.07
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methoxycarbonyl(methylidene)oxidanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methoxycarbonyl(methylidene)oxidanium?
The IUPAC name of methoxycarbonyl(methylidene)oxidanium (CID 22979578) is methoxycarbonyl(methylidene)oxidanium.
What is the SMILES notation for methoxycarbonyl(methylidene)oxidanium?
The canonical SMILES for methoxycarbonyl(methylidene)oxidanium is C=[O+]C(=O)OC.
What is the InChIKey of methoxycarbonyl(methylidene)oxidanium?
The InChIKey is HTNQDSWPZYMRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5O3/c1-5-3(4)6-2/h1H2,2H3/q+1.
What are the key properties of methoxycarbonyl(methylidene)oxidanium?
methoxycarbonyl(methylidene)oxidanium has a molecular weight of 89.07 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methoxycarbonyl(methylidene)oxidanium is sourced from PubChem (CID 22979578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).