2-azabicyclo[4.1.0]heptane;hydrochloride

C6H12ClN — CID 86280359

IUPAC2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CNC2CC2C1.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H
InChIKeyUWKFPPQRRMISKQ-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.18
Rot. Bonds

About 2-azabicyclo[4.1.0]heptane;hydrochloride

2-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 86280359) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 2-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID86280359
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name2-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CNC2CC2C1.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H
InChIKeyUWKFPPQRRMISKQ-UHFFFAOYSA-N
XLogP1.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.62
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 2-azabicyclo[4.1.0]heptane;hydrochloride (CID 86280359) is 2-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 2-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 2-azabicyclo[4.1.0]heptane;hydrochloride is C1CNC2CC2C1.Cl.
What is the InChIKey of 2-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is UWKFPPQRRMISKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-2-5-4-6(5)7-3-1;/h5-7H,1-4H2;1H.
What are the key properties of 2-azabicyclo[4.1.0]heptane;hydrochloride?
2-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 86280359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).