O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride

C5H14Cl2N2O — CID 71653271

IUPACO-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride
SMILESCN1CCC(ON)C1.Cl.Cl
InChIInChI=1S/C5H12N2O.2ClH/c1-7-3-2-5(4-7)8-6;;/h5H,2-4,6H2,1H3;2*1H
InChIKeyRVXKVOSCSWMAJG-UHFFFAOYSA-N
MW189.09 g/mol
LogP0.42
Rot. Bonds1

About O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride

O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride (PubChem CID 71653271) has the molecular formula C5H14Cl2N2O and a molecular weight of 189.09 g/mol. Its IUPAC name is O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride.

Molecular Properties

Compound NameO-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride
PubChem CID71653271
Molecular FormulaC5H14Cl2N2O
Molecular Weight189.09 g/mol
Exact Mass188.05
IUPAC NameO-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride
SMILESCN1CCC(ON)C1.Cl.Cl
InChIInChI=1S/C5H12N2O.2ClH/c1-7-3-2-5(4-7)8-6;;/h5H,2-4,6H2,1H3;2*1H
InChIKeyRVXKVOSCSWMAJG-UHFFFAOYSA-N
XLogP0.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.09
LogP ≤ 50.42
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 O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride?
The IUPAC name of O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride (CID 71653271) is O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride.
What is the SMILES notation for O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride?
The canonical SMILES for O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride is CN1CCC(ON)C1.Cl.Cl.
What is the InChIKey of O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride?
The InChIKey is RVXKVOSCSWMAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.2ClH/c1-7-3-2-5(4-7)8-6;;/h5H,2-4,6H2,1H3;2*1H.
What are the key properties of O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride?
O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride has a molecular weight of 189.09 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-methylpyrrolidin-3-yl)hydroxylamine;dihydrochloride is sourced from PubChem (CID 71653271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).