(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol

C12H15NO — CID 58907340

IUPAC(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
SMILESOCC12CC1CNC2c1ccccc1
InChIInChI=1S/C12H15NO/c14-8-12-6-10(12)7-13-11(12)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
InChIKeyQYJFCSBDLOHRSE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.33
Rot. Bonds2

About (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol

(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol (PubChem CID 58907340) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol.

Molecular Properties

Compound Name(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
PubChem CID58907340
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol
SMILESOCC12CC1CNC2c1ccccc1
InChIInChI=1S/C12H15NO/c14-8-12-6-10(12)7-13-11(12)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2
InChIKeyQYJFCSBDLOHRSE-UHFFFAOYSA-N
XLogP1.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The IUPAC name of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol (CID 58907340) is (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol.
What is the SMILES notation for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The canonical SMILES for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol is OCC12CC1CNC2c1ccccc1.
What is the InChIKey of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
The InChIKey is QYJFCSBDLOHRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c14-8-12-6-10(12)7-13-11(12)9-4-2-1-3-5-9/h1-5,10-11,13-14H,6-8H2.
What are the key properties of (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol?
(2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol has a molecular weight of 189.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-3-azabicyclo[3.1.0]hexan-1-yl)methanol is sourced from PubChem (CID 58907340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).