N-hydroxypropan-1-amine oxide

C3H9NO2 — CID 23455914

IUPACN-hydroxypropan-1-amine oxide
SMILESCCC[NH+]([O-])O
InChIInChI=1S/C3H9NO2/c1-2-3-4(5)6/h4-5H,2-3H2,1H3
InChIKeyZLBFZCVXDCENMS-UHFFFAOYSA-N
MW91.11 g/mol
LogP-0.83
Rot. Bonds2

About N-hydroxypropan-1-amine oxide

N-hydroxypropan-1-amine oxide (PubChem CID 23455914) has the molecular formula C3H9NO2 and a molecular weight of 91.11 g/mol. Its IUPAC name is N-hydroxypropan-1-amine oxide.

Molecular Properties

Compound NameN-hydroxypropan-1-amine oxide
PubChem CID23455914
Molecular FormulaC3H9NO2
Molecular Weight91.11 g/mol
Exact Mass91.06
IUPAC NameN-hydroxypropan-1-amine oxide
SMILESCCC[NH+]([O-])O
InChIInChI=1S/C3H9NO2/c1-2-3-4(5)6/h4-5H,2-3H2,1H3
InChIKeyZLBFZCVXDCENMS-UHFFFAOYSA-N
XLogP-0.83
TPSA47.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.11
LogP ≤ 5-0.83
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-hydroxypropan-1-amine oxide?
The IUPAC name of N-hydroxypropan-1-amine oxide (CID 23455914) is N-hydroxypropan-1-amine oxide.
What is the SMILES notation for N-hydroxypropan-1-amine oxide?
The canonical SMILES for N-hydroxypropan-1-amine oxide is CCC[NH+]([O-])O.
What is the InChIKey of N-hydroxypropan-1-amine oxide?
The InChIKey is ZLBFZCVXDCENMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2/c1-2-3-4(5)6/h4-5H,2-3H2,1H3.
What are the key properties of N-hydroxypropan-1-amine oxide?
N-hydroxypropan-1-amine oxide has a molecular weight of 91.11 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxypropan-1-amine oxide is sourced from PubChem (CID 23455914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).