(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one

C15H17NO2 — CID 134943666

IUPAC(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2[C@H](O)N1c1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-14,17H,6-8H2/t9-,10+,12-,13+,14+/m1/s1
InChIKeyRUXSIGCVPOBBHS-UVHGVLLISA-N
MW243.31 g/mol
LogP2.01
Rot. Bonds1

About (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one

(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 134943666) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one
PubChem CID134943666
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESO=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2[C@H](O)N1c1ccccc1
InChIInChI=1S/C15H17NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-14,17H,6-8H2/t9-,10+,12-,13+,14+/m1/s1
InChIKeyRUXSIGCVPOBBHS-UVHGVLLISA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one (CID 134943666) is (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one is O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2[C@H](O)N1c1ccccc1.
What is the InChIKey of (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is RUXSIGCVPOBBHS-UVHGVLLISA-N. The full InChI is InChI=1S/C15H17NO2/c17-14-12-9-6-7-10(8-9)13(12)15(18)16(14)11-4-2-1-3-5-11/h1-5,9-10,12-14,17H,6-8H2/t9-,10+,12-,13+,14+/m1/s1.
What are the key properties of (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
(1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 243.31 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S,6R,7R)-5-hydroxy-4-phenyl-4-azatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 134943666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).