1-aminooxypropan-2-one;1-aminopropan-2-one

C6H14N2O3 — CID 158191453

IUPAC1-aminooxypropan-2-one;1-aminopropan-2-one
SMILESCC(=O)CN.CC(=O)CON
InChIInChI=1S/C3H7NO2.C3H7NO/c1-3(5)2-6-4;1-3(5)2-4/h2,4H2,1H3;2,4H2,1H3
InChIKeyFZUNZMNRDOXBKS-UHFFFAOYSA-N
MW162.19 g/mol
LogP-1.00
Rot. Bonds3

About 1-aminooxypropan-2-one;1-aminopropan-2-one

1-aminooxypropan-2-one;1-aminopropan-2-one (PubChem CID 158191453) has the molecular formula C6H14N2O3 and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-aminooxypropan-2-one;1-aminopropan-2-one.

Molecular Properties

Compound Name1-aminooxypropan-2-one;1-aminopropan-2-one
PubChem CID158191453
Molecular FormulaC6H14N2O3
Molecular Weight162.19 g/mol
Exact Mass162.10
IUPAC Name1-aminooxypropan-2-one;1-aminopropan-2-one
SMILESCC(=O)CN.CC(=O)CON
InChIInChI=1S/C3H7NO2.C3H7NO/c1-3(5)2-6-4;1-3(5)2-4/h2,4H2,1H3;2,4H2,1H3
InChIKeyFZUNZMNRDOXBKS-UHFFFAOYSA-N
XLogP-1.00
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-aminooxypropan-2-one;1-aminopropan-2-one?
The IUPAC name of 1-aminooxypropan-2-one;1-aminopropan-2-one (CID 158191453) is 1-aminooxypropan-2-one;1-aminopropan-2-one.
What is the SMILES notation for 1-aminooxypropan-2-one;1-aminopropan-2-one?
The canonical SMILES for 1-aminooxypropan-2-one;1-aminopropan-2-one is CC(=O)CN.CC(=O)CON.
What is the InChIKey of 1-aminooxypropan-2-one;1-aminopropan-2-one?
The InChIKey is FZUNZMNRDOXBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.C3H7NO/c1-3(5)2-6-4;1-3(5)2-4/h2,4H2,1H3;2,4H2,1H3.
What are the key properties of 1-aminooxypropan-2-one;1-aminopropan-2-one?
1-aminooxypropan-2-one;1-aminopropan-2-one has a molecular weight of 162.19 g/mol, XLogP of -1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxypropan-2-one;1-aminopropan-2-one is sourced from PubChem (CID 158191453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).