3-aminooxy-1-methylpyrrolidin-2-one

C5H10N2O2 — CID 79422842

IUPAC3-aminooxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(ON)C1=O
InChIInChI=1S/C5H10N2O2/c1-7-3-2-4(9-6)5(7)8/h4H,2-3,6H2,1H3
InChIKeyQNSMDSCYTHJTBM-UHFFFAOYSA-N
MW130.15 g/mol
LogP-0.89
Rot. Bonds1

About 3-aminooxy-1-methylpyrrolidin-2-one

3-aminooxy-1-methylpyrrolidin-2-one (PubChem CID 79422842) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 3-aminooxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-aminooxy-1-methylpyrrolidin-2-one
PubChem CID79422842
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name3-aminooxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(ON)C1=O
InChIInChI=1S/C5H10N2O2/c1-7-3-2-4(9-6)5(7)8/h4H,2-3,6H2,1H3
InChIKeyQNSMDSCYTHJTBM-UHFFFAOYSA-N
XLogP-0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-aminooxy-1-methylpyrrolidin-2-one?
The IUPAC name of 3-aminooxy-1-methylpyrrolidin-2-one (CID 79422842) is 3-aminooxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-aminooxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-aminooxy-1-methylpyrrolidin-2-one is CN1CCC(ON)C1=O.
What is the InChIKey of 3-aminooxy-1-methylpyrrolidin-2-one?
The InChIKey is QNSMDSCYTHJTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-3-2-4(9-6)5(7)8/h4H,2-3,6H2,1H3.
What are the key properties of 3-aminooxy-1-methylpyrrolidin-2-one?
3-aminooxy-1-methylpyrrolidin-2-one has a molecular weight of 130.15 g/mol, XLogP of -0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 79422842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).