(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol

C13H17NO2 — CID 102427117

IUPAC(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol
SMILESO[C@H]1CC[C@H]2C[C@@H](c3ccccc3)N(C1)O2
InChIInChI=1S/C13H17NO2/c15-11-6-7-12-8-13(14(9-11)16-12)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13-/m0/s1
InChIKeyDWBHLKXAGSLVBZ-AVGNSLFASA-N
MW219.28 g/mol
LogP1.89
Rot. Bonds1

About (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol

(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol (PubChem CID 102427117) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol.

Molecular Properties

Compound Name(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol
PubChem CID102427117
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol
SMILESO[C@H]1CC[C@H]2C[C@@H](c3ccccc3)N(C1)O2
InChIInChI=1S/C13H17NO2/c15-11-6-7-12-8-13(14(9-11)16-12)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13-/m0/s1
InChIKeyDWBHLKXAGSLVBZ-AVGNSLFASA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol?
The IUPAC name of (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol (CID 102427117) is (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol.
What is the SMILES notation for (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol?
The canonical SMILES for (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol is O[C@H]1CC[C@H]2C[C@@H](c3ccccc3)N(C1)O2.
What is the InChIKey of (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol?
The InChIKey is DWBHLKXAGSLVBZ-AVGNSLFASA-N. The full InChI is InChI=1S/C13H17NO2/c15-11-6-7-12-8-13(14(9-11)16-12)10-4-2-1-3-5-10/h1-5,11-13,15H,6-9H2/t11-,12-,13-/m0/s1.
What are the key properties of (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol?
(3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol has a molecular weight of 219.28 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S,8S)-8-phenyl-9-oxa-1-azabicyclo[4.2.1]nonan-3-ol is sourced from PubChem (CID 102427117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).