2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol

C11H13NO — CID 82598844

IUPAC2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol
SMILESOc1ccccc1C1NCC2CC21
InChIInChI=1S/C11H13NO/c13-10-4-2-1-3-8(10)11-9-5-7(9)6-12-11/h1-4,7,9,11-13H,5-6H2
InChIKeyYGQWFVFDWYJKND-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.67
Rot. Bonds1

About 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol

2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol (PubChem CID 82598844) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol.

Molecular Properties

Compound Name2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol
PubChem CID82598844
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol
SMILESOc1ccccc1C1NCC2CC21
InChIInChI=1S/C11H13NO/c13-10-4-2-1-3-8(10)11-9-5-7(9)6-12-11/h1-4,7,9,11-13H,5-6H2
InChIKeyYGQWFVFDWYJKND-UHFFFAOYSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol?
The IUPAC name of 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol (CID 82598844) is 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol.
What is the SMILES notation for 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol?
The canonical SMILES for 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol is Oc1ccccc1C1NCC2CC21.
What is the InChIKey of 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol?
The InChIKey is YGQWFVFDWYJKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-4-2-1-3-8(10)11-9-5-7(9)6-12-11/h1-4,7,9,11-13H,5-6H2.
What are the key properties of 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol?
2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol has a molecular weight of 175.23 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[3.1.0]hexan-2-yl)phenol is sourced from PubChem (CID 82598844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).