O-pyrrolidin-3-ylhydroxylamine

C4H10N2O — CID 19691467

IUPACO-pyrrolidin-3-ylhydroxylamine
SMILESNOC1CCNC1
InChIInChI=1S/C4H10N2O/c5-7-4-1-2-6-3-4/h4,6H,1-3,5H2
InChIKeyAVKSZAYWJITWBF-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.76
Rot. Bonds1

About O-pyrrolidin-3-ylhydroxylamine

O-pyrrolidin-3-ylhydroxylamine (PubChem CID 19691467) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is O-pyrrolidin-3-ylhydroxylamine.

Molecular Properties

Compound NameO-pyrrolidin-3-ylhydroxylamine
PubChem CID19691467
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC NameO-pyrrolidin-3-ylhydroxylamine
SMILESNOC1CCNC1
InChIInChI=1S/C4H10N2O/c5-7-4-1-2-6-3-4/h4,6H,1-3,5H2
InChIKeyAVKSZAYWJITWBF-UHFFFAOYSA-N
XLogP-0.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
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-pyrrolidin-3-ylhydroxylamine?
The IUPAC name of O-pyrrolidin-3-ylhydroxylamine (CID 19691467) is O-pyrrolidin-3-ylhydroxylamine.
What is the SMILES notation for O-pyrrolidin-3-ylhydroxylamine?
The canonical SMILES for O-pyrrolidin-3-ylhydroxylamine is NOC1CCNC1.
What is the InChIKey of O-pyrrolidin-3-ylhydroxylamine?
The InChIKey is AVKSZAYWJITWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O/c5-7-4-1-2-6-3-4/h4,6H,1-3,5H2.
What are the key properties of O-pyrrolidin-3-ylhydroxylamine?
O-pyrrolidin-3-ylhydroxylamine has a molecular weight of 102.14 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-pyrrolidin-3-ylhydroxylamine is sourced from PubChem (CID 19691467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).