2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride

C5H11Cl2NO — CID 141117776

IUPAC2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride
SMILESC1OC2CNC1C2.Cl.Cl
InChIInChI=1S/C5H9NO.2ClH/c1-4-3-7-5(1)2-6-4;;/h4-6H,1-3H2;2*1H
InChIKeyPNFJROFANLHDNW-UHFFFAOYSA-N
MW172.05 g/mol
LogP0.59
Rot. Bonds

About 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride

2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride (PubChem CID 141117776) has the molecular formula C5H11Cl2NO and a molecular weight of 172.05 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride
PubChem CID141117776
Molecular FormulaC5H11Cl2NO
Molecular Weight172.05 g/mol
Exact Mass171.02
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride
SMILESC1OC2CNC1C2.Cl.Cl
InChIInChI=1S/C5H9NO.2ClH/c1-4-3-7-5(1)2-6-4;;/h4-6H,1-3H2;2*1H
InChIKeyPNFJROFANLHDNW-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.05
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride 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 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride (CID 141117776) is 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride is C1OC2CNC1C2.Cl.Cl.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride?
The InChIKey is PNFJROFANLHDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.2ClH/c1-4-3-7-5(1)2-6-4;;/h4-6H,1-3H2;2*1H.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride?
2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride has a molecular weight of 172.05 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptane;dihydrochloride is sourced from PubChem (CID 141117776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).