(dimethoxyamino)-oxoazanium

C2H7N2O3+ — CID 123457141

IUPAC(dimethoxyamino)-oxoazanium
SMILESCON([NH+]=O)OC
InChIInChI=1S/C2H6N2O3/c1-6-4(3-5)7-2/h1-2H3/p+1
InChIKeyBTHWOWUVXOFNQB-UHFFFAOYSA-O
MW107.09 g/mol
LogP-1.83
Rot. Bonds3

About (dimethoxyamino)-oxoazanium

(dimethoxyamino)-oxoazanium (PubChem CID 123457141) has the molecular formula C2H7N2O3+ and a molecular weight of 107.09 g/mol. Its IUPAC name is (dimethoxyamino)-oxoazanium.

Molecular Properties

Compound Name(dimethoxyamino)-oxoazanium
PubChem CID123457141
Molecular FormulaC2H7N2O3+
Molecular Weight107.09 g/mol
Exact Mass107.05
IUPAC Name(dimethoxyamino)-oxoazanium
SMILESCON([NH+]=O)OC
InChIInChI=1S/C2H6N2O3/c1-6-4(3-5)7-2/h1-2H3/p+1
InChIKeyBTHWOWUVXOFNQB-UHFFFAOYSA-O
XLogP-1.83
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.09
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;N-methoxy-N-methylmethanamine
CID 145337706
2-[methoxy(methyl)amino]acetaldehyde
CID 87956283
N-formyl-N-methoxybutanamide
CID 89360816
diethylamino(oxo)azanium
CID 139032465
dimethylamino formate;zinc
CID 174400064
CID 161374126
CID 161374126
dimethylamino prop-2-enoate
CID 20697927
N-methoxysulfanyl-N-sulfanylformamide
CID 21160046
ethenyl(methoxy)carbamic acid
CID 87087512
azane;dimethylamino prop-2-enoate
CID 162313992
1,3-dimethoxy-1,3-dimethylurea
CID 11159391
hydron;methyl formate
CID 173190969

Frequently Asked Questions

What is the IUPAC name of (dimethoxyamino)-oxoazanium?
The IUPAC name of (dimethoxyamino)-oxoazanium (CID 123457141) is (dimethoxyamino)-oxoazanium.
What is the SMILES notation for (dimethoxyamino)-oxoazanium?
The canonical SMILES for (dimethoxyamino)-oxoazanium is CON([NH+]=O)OC.
What is the InChIKey of (dimethoxyamino)-oxoazanium?
The InChIKey is BTHWOWUVXOFNQB-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H6N2O3/c1-6-4(3-5)7-2/h1-2H3/p+1.
What are the key properties of (dimethoxyamino)-oxoazanium?
(dimethoxyamino)-oxoazanium has a molecular weight of 107.09 g/mol, XLogP of -1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (dimethoxyamino)-oxoazanium is sourced from PubChem (CID 123457141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).