O-(pyrrolidin-1-ylmethyl)hydroxylamine

C5H12N2O — CID 22404001

IUPACO-(pyrrolidin-1-ylmethyl)hydroxylamine
SMILESNOCN1CCCC1
InChIInChI=1S/C5H12N2O/c6-8-5-7-3-1-2-4-7/h1-6H2
InChIKeyXSVYZZOEQYBNHD-UHFFFAOYSA-N
MW116.16 g/mol
LogP-0.07
Rot. Bonds2

About O-(pyrrolidin-1-ylmethyl)hydroxylamine

O-(pyrrolidin-1-ylmethyl)hydroxylamine (PubChem CID 22404001) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is O-(pyrrolidin-1-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(pyrrolidin-1-ylmethyl)hydroxylamine
PubChem CID22404001
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameO-(pyrrolidin-1-ylmethyl)hydroxylamine
SMILESNOCN1CCCC1
InChIInChI=1S/C5H12N2O/c6-8-5-7-3-1-2-4-7/h1-6H2
InChIKeyXSVYZZOEQYBNHD-UHFFFAOYSA-N
XLogP-0.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.07
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-(pyrrolidin-1-ylmethyl)hydroxylamine?
The IUPAC name of O-(pyrrolidin-1-ylmethyl)hydroxylamine (CID 22404001) is O-(pyrrolidin-1-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(pyrrolidin-1-ylmethyl)hydroxylamine?
The canonical SMILES for O-(pyrrolidin-1-ylmethyl)hydroxylamine is NOCN1CCCC1.
What is the InChIKey of O-(pyrrolidin-1-ylmethyl)hydroxylamine?
The InChIKey is XSVYZZOEQYBNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c6-8-5-7-3-1-2-4-7/h1-6H2.
What are the key properties of O-(pyrrolidin-1-ylmethyl)hydroxylamine?
O-(pyrrolidin-1-ylmethyl)hydroxylamine has a molecular weight of 116.16 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(pyrrolidin-1-ylmethyl)hydroxylamine is sourced from PubChem (CID 22404001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).