3-(azetidin-3-yloxy)propanenitrile;hydrochloride

C6H11ClN2O — CID 170627171

IUPAC3-(azetidin-3-yloxy)propanenitrile;hydrochloride
SMILESCl.N#CCCOC1CNC1
InChIInChI=1S/C6H10N2O.ClH/c7-2-1-3-9-6-4-8-5-6;/h6,8H,1,3-5H2;1H
InChIKeyODLZFDNDZUJPHP-UHFFFAOYSA-N
MW162.62 g/mol
LogP0.31
Rot. Bonds3

About 3-(azetidin-3-yloxy)propanenitrile;hydrochloride

3-(azetidin-3-yloxy)propanenitrile;hydrochloride (PubChem CID 170627171) has the molecular formula C6H11ClN2O and a molecular weight of 162.62 g/mol. Its IUPAC name is 3-(azetidin-3-yloxy)propanenitrile;hydrochloride.

Molecular Properties

Compound Name3-(azetidin-3-yloxy)propanenitrile;hydrochloride
PubChem CID170627171
Molecular FormulaC6H11ClN2O
Molecular Weight162.62 g/mol
Exact Mass162.06
IUPAC Name3-(azetidin-3-yloxy)propanenitrile;hydrochloride
SMILESCl.N#CCCOC1CNC1
InChIInChI=1S/C6H10N2O.ClH/c7-2-1-3-9-6-4-8-5-6;/h6,8H,1,3-5H2;1H
InChIKeyODLZFDNDZUJPHP-UHFFFAOYSA-N
XLogP0.31
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.62
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(azetidin-3-yloxy)propanenitrile;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yloxy)propanenitrile;hydrochloride?
The IUPAC name of 3-(azetidin-3-yloxy)propanenitrile;hydrochloride (CID 170627171) is 3-(azetidin-3-yloxy)propanenitrile;hydrochloride.
What is the SMILES notation for 3-(azetidin-3-yloxy)propanenitrile;hydrochloride?
The canonical SMILES for 3-(azetidin-3-yloxy)propanenitrile;hydrochloride is Cl.N#CCCOC1CNC1.
What is the InChIKey of 3-(azetidin-3-yloxy)propanenitrile;hydrochloride?
The InChIKey is ODLZFDNDZUJPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O.ClH/c7-2-1-3-9-6-4-8-5-6;/h6,8H,1,3-5H2;1H.
What are the key properties of 3-(azetidin-3-yloxy)propanenitrile;hydrochloride?
3-(azetidin-3-yloxy)propanenitrile;hydrochloride has a molecular weight of 162.62 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yloxy)propanenitrile;hydrochloride is sourced from PubChem (CID 170627171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).