O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine

C5H12N2O — CID 86693984

IUPACO-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine
SMILESCN1CC[C@H](ON)C1
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyVHYNIMVSQGXABX-YFKPBYRVSA-N
MW116.16 g/mol
LogP-0.42
Rot. Bonds1

About O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine

O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine (PubChem CID 86693984) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine.

Molecular Properties

Compound NameO-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine
PubChem CID86693984
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameO-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine
SMILESCN1CC[C@H](ON)C1
InChIInChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3/t5-/m0/s1
InChIKeyVHYNIMVSQGXABX-YFKPBYRVSA-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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Frequently Asked Questions

What is the IUPAC name of O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine?
The IUPAC name of O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine (CID 86693984) is O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine.
What is the SMILES notation for O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine?
The canonical SMILES for O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine is CN1CC[C@H](ON)C1.
What is the InChIKey of O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine?
The InChIKey is VHYNIMVSQGXABX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H12N2O/c1-7-3-2-5(4-7)8-6/h5H,2-4,6H2,1H3/t5-/m0/s1.
What are the key properties of O-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine?
O-[(3S)-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-[(3S)-1-methylpyrrolidin-3-yl]hydroxylamine is sourced from PubChem (CID 86693984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).