3-azabicyclo[4.1.0]heptane;hydrochloride

C6H12ClN — CID 74889690

IUPAC3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CC2CC2CN1.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-7-4-6-3-5(1)6;/h5-7H,1-4H2;1H
InChIKeyIBUKKQPSDDEJEY-UHFFFAOYSA-N
MW133.62 g/mol
LogP1.04
Rot. Bonds

About 3-azabicyclo[4.1.0]heptane;hydrochloride

3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 74889690) has the molecular formula C6H12ClN and a molecular weight of 133.62 g/mol. Its IUPAC name is 3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID74889690
Molecular FormulaC6H12ClN
Molecular Weight133.62 g/mol
Exact Mass133.07
IUPAC Name3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC1CC2CC2CN1.Cl
InChIInChI=1S/C6H11N.ClH/c1-2-7-4-6-3-5(1)6;/h5-7H,1-4H2;1H
InChIKeyIBUKKQPSDDEJEY-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of 3-azabicyclo[4.1.0]heptane;hydrochloride (CID 74889690) is 3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for 3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for 3-azabicyclo[4.1.0]heptane;hydrochloride is C1CC2CC2CN1.Cl.
What is the InChIKey of 3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is IBUKKQPSDDEJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.ClH/c1-2-7-4-6-3-5(1)6;/h5-7H,1-4H2;1H.
What are the key properties of 3-azabicyclo[4.1.0]heptane;hydrochloride?
3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 133.62 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 74889690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).