N-hydroxybutan-1-amine oxide

C4H11NO2 — CID 23455912

IUPACN-hydroxybutan-1-amine oxide
SMILESCCCC[NH+]([O-])O
InChIInChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyNGVDHXFQUHPHSS-UHFFFAOYSA-N
MW105.14 g/mol
LogP-0.44
Rot. Bonds3

About N-hydroxybutan-1-amine oxide

N-hydroxybutan-1-amine oxide (PubChem CID 23455912) has the molecular formula C4H11NO2 and a molecular weight of 105.14 g/mol. Its IUPAC name is N-hydroxybutan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxybutan-1-amine oxide
PubChem CID23455912
Molecular FormulaC4H11NO2
Molecular Weight105.14 g/mol
Exact Mass105.08
IUPAC NameN-hydroxybutan-1-amine oxide
SMILESCCCC[NH+]([O-])O
InChIInChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h5-6H,2-4H2,1H3
InChIKeyNGVDHXFQUHPHSS-UHFFFAOYSA-N
XLogP-0.44
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-0.44
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-hydroxybutan-1-amine oxide?
The IUPAC name of N-hydroxybutan-1-amine oxide (CID 23455912) is N-hydroxybutan-1-amine oxide.
What is the SMILES notation for N-hydroxybutan-1-amine oxide?
The canonical SMILES for N-hydroxybutan-1-amine oxide is CCCC[NH+]([O-])O.
What is the InChIKey of N-hydroxybutan-1-amine oxide?
The InChIKey is NGVDHXFQUHPHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO2/c1-2-3-4-5(6)7/h5-6H,2-4H2,1H3.
What are the key properties of N-hydroxybutan-1-amine oxide?
N-hydroxybutan-1-amine oxide has a molecular weight of 105.14 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxybutan-1-amine oxide is sourced from PubChem (CID 23455912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).