nitrosomethanetriol

CH3NO4 — CID 178078962

IUPACnitrosomethanetriol
SMILESO=NC(O)(O)O
InChIInChI=1S/CH3NO4/c3-1(4,5)2-6/h3-5H
InChIKeyOSQXSIHFDWKNIY-UHFFFAOYSA-N
MW93.04 g/mol
LogP-1.66
Rot. Bonds1

About nitrosomethanetriol

nitrosomethanetriol (PubChem CID 178078962) has the molecular formula CH3NO4 and a molecular weight of 93.04 g/mol. Its IUPAC name is nitrosomethanetriol.

Molecular Properties

Compound Namenitrosomethanetriol
PubChem CID178078962
Molecular FormulaCH3NO4
Molecular Weight93.04 g/mol
Exact Mass93.01
IUPAC Namenitrosomethanetriol
SMILESO=NC(O)(O)O
InChIInChI=1S/CH3NO4/c3-1(4,5)2-6/h3-5H
InChIKeyOSQXSIHFDWKNIY-UHFFFAOYSA-N
XLogP-1.66
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.04
LogP ≤ 5-1.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of nitrosomethanetriol?
The IUPAC name of nitrosomethanetriol (CID 178078962) is nitrosomethanetriol.
What is the SMILES notation for nitrosomethanetriol?
The canonical SMILES for nitrosomethanetriol is O=NC(O)(O)O.
What is the InChIKey of nitrosomethanetriol?
The InChIKey is OSQXSIHFDWKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NO4/c3-1(4,5)2-6/h3-5H.
What are the key properties of nitrosomethanetriol?
nitrosomethanetriol has a molecular weight of 93.04 g/mol, XLogP of -1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitrosomethanetriol is sourced from PubChem (CID 178078962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).