O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride

C11H17ClN2O — CID 142714057

IUPACO-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
SMILESCl.NOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O.ClH/c12-14-11-6-7-13(9-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9,12H2;1H
InChIKeyXNLDHXFRWKOPFS-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.57
Rot. Bonds3

About O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride

O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride (PubChem CID 142714057) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride.

Molecular Properties

Compound NameO-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
PubChem CID142714057
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC NameO-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride
SMILESCl.NOC1CCN(Cc2ccccc2)C1
InChIInChI=1S/C11H16N2O.ClH/c12-14-11-6-7-13(9-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9,12H2;1H
InChIKeyXNLDHXFRWKOPFS-UHFFFAOYSA-N
XLogP1.57
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-[(3S)-1-benzylpyrrolidin-3-yl]oxyethanamine
CID 94894903
1-benzyl-3-(2-methylpropoxy)pyrrolidine
CID 67473333
(1-benzylpyrrolidin-3-yl) sulfite
CID 91372704
1-benzyl-4-phenylmethoxypiperidine;hydrochloride
CID 18919828
(3S,4R)-4-amino-1-benzylpiperidin-3-ol;hydrochloride
CID 67227523
(3R,4R)-4-amino-1-benzylpiperidin-3-ol;dihydrochloride
CID 163338239
2-(1-benzylpyrrolidin-3-yl)oxy-N-methylethanamine
CID 62918386
1-benzyl-4-phenylmethoxypiperidine
CID 15892976
2-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyridine
CID 62918212
2-(1-benzylpyrrolidin-3-yl)oxypyridin-3-amine
CID 62911300
CID 58171508
CID 58171508

Frequently Asked Questions

What is the IUPAC name of O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride?
The IUPAC name of O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride (CID 142714057) is O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride.
What is the SMILES notation for O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride?
The canonical SMILES for O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride is Cl.NOC1CCN(Cc2ccccc2)C1.
What is the InChIKey of O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride?
The InChIKey is XNLDHXFRWKOPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O.ClH/c12-14-11-6-7-13(9-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9,12H2;1H.
What are the key properties of O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride?
O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride has a molecular weight of 228.72 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-benzylpyrrolidin-3-yl)hydroxylamine;hydrochloride is sourced from PubChem (CID 142714057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).