N-hydroxycyclobutanamine oxide

C4H9NO2 — CID 163442546

IUPACN-hydroxycyclobutanamine oxide
SMILES[O-][NH+](O)C1CCC1
InChIInChI=1S/C4H9NO2/c6-5(7)4-2-1-3-4/h4-6H,1-3H2
InChIKeyAZTDZNKLJUTELQ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.69
Rot. Bonds1

About N-hydroxycyclobutanamine oxide

N-hydroxycyclobutanamine oxide (PubChem CID 163442546) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is N-hydroxycyclobutanamine oxide.

Molecular Properties

Compound NameN-hydroxycyclobutanamine oxide
PubChem CID163442546
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC NameN-hydroxycyclobutanamine oxide
SMILES[O-][NH+](O)C1CCC1
InChIInChI=1S/C4H9NO2/c6-5(7)4-2-1-3-4/h4-6H,1-3H2
InChIKeyAZTDZNKLJUTELQ-UHFFFAOYSA-N
XLogP-0.69
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
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 N-hydroxycyclobutanamine oxide?
The IUPAC name of N-hydroxycyclobutanamine oxide (CID 163442546) is N-hydroxycyclobutanamine oxide.
What is the SMILES notation for N-hydroxycyclobutanamine oxide?
The canonical SMILES for N-hydroxycyclobutanamine oxide is [O-][NH+](O)C1CCC1.
What is the InChIKey of N-hydroxycyclobutanamine oxide?
The InChIKey is AZTDZNKLJUTELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c6-5(7)4-2-1-3-4/h4-6H,1-3H2.
What are the key properties of N-hydroxycyclobutanamine oxide?
N-hydroxycyclobutanamine oxide has a molecular weight of 103.12 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxycyclobutanamine oxide is sourced from PubChem (CID 163442546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).