O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine

C5H12N2O — CID 172868993

IUPACO-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine
SMILESNOC[C@@H]1CCNC1
InChIInChI=1S/C5H12N2O/c6-8-4-5-1-2-7-3-5/h5,7H,1-4,6H2/t5-/m1/s1
InChIKeyZTLUVRQAZGGKNA-RXMQYKEDSA-N
MW116.16 g/mol
LogP-0.51
Rot. Bonds2

About O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine

O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine (PubChem CID 172868993) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound NameO-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine
PubChem CID172868993
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameO-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine
SMILESNOC[C@@H]1CCNC1
InChIInChI=1S/C5H12N2O/c6-8-4-5-1-2-7-3-5/h5,7H,1-4,6H2/t5-/m1/s1
InChIKeyZTLUVRQAZGGKNA-RXMQYKEDSA-N
XLogP-0.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 5-0.51
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-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine?
The IUPAC name of O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine (CID 172868993) is O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine.
What is the SMILES notation for O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine?
The canonical SMILES for O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine is NOC[C@@H]1CCNC1.
What is the InChIKey of O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine?
The InChIKey is ZTLUVRQAZGGKNA-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12N2O/c6-8-4-5-1-2-7-3-5/h5,7H,1-4,6H2/t5-/m1/s1.
What are the key properties of O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine?
O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine has a molecular weight of 116.16 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-[[(3R)-pyrrolidin-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 172868993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).