2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride

C6H12ClNO — CID 119031067

IUPAC2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
SMILESCl.NC1C2CCCOC12
InChIInChI=1S/C6H11NO.ClH/c7-5-4-2-1-3-8-6(4)5;/h4-6H,1-3,7H2;1H
InChIKeyXZTOONBLWVEADL-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.54
Rot. Bonds

About 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride

2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride (PubChem CID 119031067) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride.

Molecular Properties

Compound Name2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
PubChem CID119031067
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride
SMILESCl.NC1C2CCCOC12
InChIInChI=1S/C6H11NO.ClH/c7-5-4-2-1-3-8-6(4)5;/h4-6H,1-3,7H2;1H
InChIKeyXZTOONBLWVEADL-UHFFFAOYSA-N
XLogP0.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride?
The IUPAC name of 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride (CID 119031067) is 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride.
What is the SMILES notation for 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride?
The canonical SMILES for 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride is Cl.NC1C2CCCOC12.
What is the InChIKey of 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride?
The InChIKey is XZTOONBLWVEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c7-5-4-2-1-3-8-6(4)5;/h4-6H,1-3,7H2;1H.
What are the key properties of 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride?
2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxabicyclo[4.1.0]heptan-7-amine;hydrochloride is sourced from PubChem (CID 119031067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).