[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)

C3H7N2ORb — CID 59436121

IUPAC[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)
SMILESC[N-]/C(C)=N\O.[Rb+]
InChIInChI=1S/C3H7N2O.Rb/c1-3(4-2)5-6;/h1-2H3,(H-,4,5,6);/q-1;+1
InChIKeyRYKWRUOIYHYVRH-UHFFFAOYSA-N
MW172.57 g/mol
LogP-2.20
Rot. Bonds

About [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)

[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+) (PubChem CID 59436121) has the molecular formula C3H7N2ORb and a molecular weight of 172.57 g/mol. Its IUPAC name is [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+).

Molecular Properties

Compound Name[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)
PubChem CID59436121
Molecular FormulaC3H7N2ORb
Molecular Weight172.57 g/mol
Exact Mass171.97
IUPAC Name[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)
SMILESC[N-]/C(C)=N\O.[Rb+]
InChIInChI=1S/C3H7N2O.Rb/c1-3(4-2)5-6;/h1-2H3,(H-,4,5,6);/q-1;+1
InChIKeyRYKWRUOIYHYVRH-UHFFFAOYSA-N
XLogP-2.20
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 5-2.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)?
The IUPAC name of [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+) (CID 59436121) is [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+).
What is the SMILES notation for [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)?
The canonical SMILES for [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+) is C[N-]/C(C)=N\O.[Rb+].
What is the InChIKey of [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)?
The InChIKey is RYKWRUOIYHYVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O.Rb/c1-3(4-2)5-6;/h1-2H3,(H-,4,5,6);/q-1;+1.
What are the key properties of [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+)?
[(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+) has a molecular weight of 172.57 g/mol, XLogP of -2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-N-hydroxy-C-methylcarbonimidoyl]-methylazanide;rubidium(1+) is sourced from PubChem (CID 59436121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).