1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride

C11H14ClN — CID 12719843

IUPAC1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.c1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N.ClH/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;/h1-5,10,12H,6-8H2;1H
InChIKeyCVQLMVQMMNBNHC-UHFFFAOYSA-N
MW195.69 g/mol
LogP1.97
Rot. Bonds1

About 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride

1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 12719843) has the molecular formula C11H14ClN and a molecular weight of 195.69 g/mol. Its IUPAC name is 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID12719843
Molecular FormulaC11H14ClN
Molecular Weight195.69 g/mol
Exact Mass195.08
IUPAC Name1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.c1ccc(C23CNCC2C3)cc1
InChIInChI=1S/C11H13N.ClH/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;/h1-5,10,12H,6-8H2;1H
InChIKeyCVQLMVQMMNBNHC-UHFFFAOYSA-N
XLogP1.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 12719843) is 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.c1ccc(C23CNCC2C3)cc1.
What is the InChIKey of 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is CVQLMVQMMNBNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N.ClH/c1-2-4-9(5-3-1)11-6-10(11)7-12-8-11;/h1-5,10,12H,6-8H2;1H.
What are the key properties of 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 195.69 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 12719843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).