dimethoxyazanium chloride

C2H8ClNO2 — CID 11007858

IUPACdimethoxyazanium chloride
SMILESCO[NH2+]OC.[Cl-]
InChIInChI=1S/C2H8NO2.ClH/c1-4-3-5-2;/h3H2,1-2H3;1H/q+1;/p-1
InChIKeyUTWKCHNXOSOJKI-UHFFFAOYSA-M
MW113.54 g/mol
LogP-4.32
Rot. Bonds2

About dimethoxyazanium chloride

dimethoxyazanium chloride (PubChem CID 11007858) has the molecular formula C2H8ClNO2 and a molecular weight of 113.54 g/mol. Its IUPAC name is dimethoxyazanium chloride.

Molecular Properties

Compound Namedimethoxyazanium chloride
PubChem CID11007858
Molecular FormulaC2H8ClNO2
Molecular Weight113.54 g/mol
Exact Mass113.02
IUPAC Namedimethoxyazanium chloride
SMILESCO[NH2+]OC.[Cl-]
InChIInChI=1S/C2H8NO2.ClH/c1-4-3-5-2;/h3H2,1-2H3;1H/q+1;/p-1
InChIKeyUTWKCHNXOSOJKI-UHFFFAOYSA-M
XLogP-4.32
TPSA35.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.54
LogP ≤ 5-4.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 dimethoxyazanium chloride?
The IUPAC name of dimethoxyazanium chloride (CID 11007858) is dimethoxyazanium chloride.
What is the SMILES notation for dimethoxyazanium chloride?
The canonical SMILES for dimethoxyazanium chloride is CO[NH2+]OC.[Cl-].
What is the InChIKey of dimethoxyazanium chloride?
The InChIKey is UTWKCHNXOSOJKI-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H8NO2.ClH/c1-4-3-5-2;/h3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethoxyazanium chloride?
dimethoxyazanium chloride has a molecular weight of 113.54 g/mol, XLogP of -4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxyazanium chloride is sourced from PubChem (CID 11007858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).