[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone

C12H13NO2 — CID 15379256

IUPAC[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1[C@@H]2CC[C@H]1C2O
InChIInChI=1S/C12H13NO2/c14-11-9-6-7-10(11)13(9)12(15)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11?
InChIKeyCBKJKPYTBPMLFF-ZACCUICWSA-N
MW203.24 g/mol
LogP1.03
Rot. Bonds1

About [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone

[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone (PubChem CID 15379256) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone
PubChem CID15379256
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1[C@@H]2CC[C@H]1C2O
InChIInChI=1S/C12H13NO2/c14-11-9-6-7-10(11)13(9)12(15)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11?
InChIKeyCBKJKPYTBPMLFF-ZACCUICWSA-N
XLogP1.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone?
The IUPAC name of [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone (CID 15379256) is [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone.
What is the SMILES notation for [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone?
The canonical SMILES for [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone is O=C(c1ccccc1)N1[C@@H]2CC[C@H]1C2O.
What is the InChIKey of [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone?
The InChIKey is CBKJKPYTBPMLFF-ZACCUICWSA-N. The full InChI is InChI=1S/C12H13NO2/c14-11-9-6-7-10(11)13(9)12(15)8-4-2-1-3-5-8/h1-5,9-11,14H,6-7H2/t9-,10+,11?.
What are the key properties of [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone?
[(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone has a molecular weight of 203.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-6-hydroxy-5-azabicyclo[2.1.1]hexan-5-yl]-phenylmethanone is sourced from PubChem (CID 15379256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).