[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

C13H17NO — CID 11571990

IUPAC[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13?
InChIKeyNMJRXNUMGKZPHG-FUNVUKJBSA-N
MW203.29 g/mol
LogP1.36
Rot. Bonds3

About [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol

[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (PubChem CID 11571990) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
PubChem CID11571990
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol
SMILESOCC1[C@H]2CN(Cc3ccccc3)C[C@@H]12
InChIInChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13?
InChIKeyNMJRXNUMGKZPHG-FUNVUKJBSA-N
XLogP1.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The IUPAC name of [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol (CID 11571990) is [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol.
What is the SMILES notation for [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The canonical SMILES for [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is OCC1[C@H]2CN(Cc3ccccc3)C[C@@H]12.
What is the InChIKey of [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
The InChIKey is NMJRXNUMGKZPHG-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H17NO/c15-9-13-11-7-14(8-12(11)13)6-10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12+,13?.
What are the key properties of [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol?
[(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol has a molecular weight of 203.29 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl]methanol is sourced from PubChem (CID 11571990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).