(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol

C11H13NO — CID 69433064

IUPAC(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
SMILESO[C@]12CC1CN[C@H]2c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-6-9(11)7-12-10(11)8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7H2/t9?,10-,11+/m0/s1
InChIKeyUXFMSIDGYCVPHE-QXXIUIOUSA-N
MW175.23 g/mol
LogP1.08
Rot. Bonds1

About (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol

(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol (PubChem CID 69433064) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
PubChem CID69433064
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol
SMILESO[C@]12CC1CN[C@H]2c1ccccc1
InChIInChI=1S/C11H13NO/c13-11-6-9(11)7-12-10(11)8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7H2/t9?,10-,11+/m0/s1
InChIKeyUXFMSIDGYCVPHE-QXXIUIOUSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol?
The IUPAC name of (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol (CID 69433064) is (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol.
What is the SMILES notation for (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol?
The canonical SMILES for (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol is O[C@]12CC1CN[C@H]2c1ccccc1.
What is the InChIKey of (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol?
The InChIKey is UXFMSIDGYCVPHE-QXXIUIOUSA-N. The full InChI is InChI=1S/C11H13NO/c13-11-6-9(11)7-12-10(11)8-4-2-1-3-5-8/h1-5,9-10,12-13H,6-7H2/t9?,10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol?
(1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol has a molecular weight of 175.23 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-phenyl-3-azabicyclo[3.1.0]hexan-1-ol is sourced from PubChem (CID 69433064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).