hydron;hydroxylamine;methanol;dihydrate

CH12NO4+ — CID 159501881

IUPAChydron;hydroxylamine;methanol;dihydrate
SMILESCO.NO.O.O.[H+]
InChIInChI=1S/CH4O.H3NO.2H2O/c2*1-2;;/h2H,1H3;2H,1H2;2*1H2/p+1
InChIKeyYNYYIWUQRBZTGK-UHFFFAOYSA-O
MW102.11 g/mol
LogP-2.59
Rot. Bonds

About hydron;hydroxylamine;methanol;dihydrate

hydron;hydroxylamine;methanol;dihydrate (PubChem CID 159501881) has the molecular formula CH12NO4+ and a molecular weight of 102.11 g/mol. Its IUPAC name is hydron;hydroxylamine;methanol;dihydrate.

Molecular Properties

Compound Namehydron;hydroxylamine;methanol;dihydrate
PubChem CID159501881
Molecular FormulaCH12NO4+
Molecular Weight102.11 g/mol
Exact Mass102.08
IUPAC Namehydron;hydroxylamine;methanol;dihydrate
SMILESCO.NO.O.O.[H+]
InChIInChI=1S/CH4O.H3NO.2H2O/c2*1-2;;/h2H,1H3;2H,1H2;2*1H2/p+1
InChIKeyYNYYIWUQRBZTGK-UHFFFAOYSA-O
XLogP-2.59
TPSA129.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.11
LogP ≤ 5-2.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydron;hydroxylamine;methanol;dihydrate?
The IUPAC name of hydron;hydroxylamine;methanol;dihydrate (CID 159501881) is hydron;hydroxylamine;methanol;dihydrate.
What is the SMILES notation for hydron;hydroxylamine;methanol;dihydrate?
The canonical SMILES for hydron;hydroxylamine;methanol;dihydrate is CO.NO.O.O.[H+].
What is the InChIKey of hydron;hydroxylamine;methanol;dihydrate?
The InChIKey is YNYYIWUQRBZTGK-UHFFFAOYSA-O. The full InChI is InChI=1S/CH4O.H3NO.2H2O/c2*1-2;;/h2H,1H3;2H,1H2;2*1H2/p+1.
What are the key properties of hydron;hydroxylamine;methanol;dihydrate?
hydron;hydroxylamine;methanol;dihydrate has a molecular weight of 102.11 g/mol, XLogP of -2.59, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;hydroxylamine;methanol;dihydrate is sourced from PubChem (CID 159501881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).