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

C5H12N2O — CID 71653272

IUPACO-(1-methylpyrrolidin-3-yl)hydroxylamine
SMILESCN1CCC(ON)C1
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3
InChIKeyVHYNIMVSQGXABX-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.42
Rot. Bonds1

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

O-(1-methylpyrrolidin-3-yl)hydroxylamine (PubChem CID 71653272) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is O-(1-methylpyrrolidin-3-yl)hydroxylamine.

Molecular Properties

Compound NameO-(1-methylpyrrolidin-3-yl)hydroxylamine
PubChem CID71653272
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameO-(1-methylpyrrolidin-3-yl)hydroxylamine
SMILESCN1CCC(ON)C1
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3
InChIKeyVHYNIMVSQGXABX-UHFFFAOYSA-N
XLogP-0.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.42
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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Related Compounds

O-(1-methylpyrrolidin-3-yl)hydroxylamine dihydrochloride
CID 71653271
(1-Methylpyrrolidin-3-yl) hypofluorite
CID 164903726
(1-Ethylpyrrolidin-3-yl) hypofluorite
CID 144717853
O-(2-(Pyrrolidin-1-yl)ethyl)hydroxylamine
CID 12109735
3-Methoxy-1-methylpyrrolidine
CID 19039780
1-Ethyl-3-methoxypyrrolidine
CID 19039789
O-(pyrrolidin-3-yl)hydroxylamine
CID 19691467
O-(1-pyrrolidin-1-ylethyl)hydroxylamine
CID 20381850
Lithium 1-ethylpyrrolidin-3-olate
CID 20660707
Lithium 1-methylpyrrolidin-3-olate
CID 20660710
(S)-3-Methoxy-1-methylpyrrolidine
CID 57678584
(3S)-1-ethyl-3-methoxypyrrolidine
CID 58336057

Frequently Asked Questions

What is the IUPAC name of O-(1-methylpyrrolidin-3-yl)hydroxylamine?
The IUPAC name of O-(1-methylpyrrolidin-3-yl)hydroxylamine (CID 71653272) is O-(1-methylpyrrolidin-3-yl)hydroxylamine.
What is the SMILES notation for O-(1-methylpyrrolidin-3-yl)hydroxylamine?
The canonical SMILES for O-(1-methylpyrrolidin-3-yl)hydroxylamine is CN1CCC(ON)C1.
What is the InChIKey of O-(1-methylpyrrolidin-3-yl)hydroxylamine?
The InChIKey is VHYNIMVSQGXABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3.
What are the key properties of O-(1-methylpyrrolidin-3-yl)hydroxylamine?
O-(1-methylpyrrolidin-3-yl)hydroxylamine has a molecular weight of 116.16 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 is sourced from PubChem (CID 71653272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).