1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C11H13Cl2N — CID 12719847

IUPAC1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Clc1ccccc1C12CNCC1C2
InChIInChI=1S/C11H12ClN.ClH/c12-10-4-2-1-3-9(10)11-5-8(11)6-13-7-11;/h1-4,8,13H,5-7H2;1H
InChIKeyPAWQOMFZQDVYLL-UHFFFAOYSA-N
MW230.14 g/mol
LogP2.62
Rot. Bonds1

About 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 12719847) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID12719847
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.Clc1ccccc1C12CNCC1C2
InChIInChI=1S/C11H12ClN.ClH/c12-10-4-2-1-3-9(10)11-5-8(11)6-13-7-11;/h1-4,8,13H,5-7H2;1H
InChIKeyPAWQOMFZQDVYLL-UHFFFAOYSA-N
XLogP2.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 12719847) is 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.Clc1ccccc1C12CNCC1C2.
What is the InChIKey of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is PAWQOMFZQDVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN.ClH/c12-10-4-2-1-3-9(10)11-5-8(11)6-13-7-11;/h1-4,8,13H,5-7H2;1H.
What are the key properties of 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 230.14 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 12719847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).