(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one

C17H23NO2 — CID 132528251

IUPAC(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one
SMILESC[C@@]12C[C@@H]1OCCCCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C17H23NO2/c1-17-12-15(17)20-11-7-3-6-10-18(16(17)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3/t15-,17+/m0/s1
InChIKeyHYZPZOGISIODHS-DOTOQJQBSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds2

About (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one

(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one (PubChem CID 132528251) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one.

Molecular Properties

Compound Name(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one
PubChem CID132528251
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one
SMILESC[C@@]12C[C@@H]1OCCCCCN(Cc1ccccc1)C2=O
InChIInChI=1S/C17H23NO2/c1-17-12-15(17)20-11-7-3-6-10-18(16(17)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3/t15-,17+/m0/s1
InChIKeyHYZPZOGISIODHS-DOTOQJQBSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one?
The IUPAC name of (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one (CID 132528251) is (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one.
What is the SMILES notation for (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one?
The canonical SMILES for (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one is C[C@@]12C[C@@H]1OCCCCCN(Cc1ccccc1)C2=O.
What is the InChIKey of (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one?
The InChIKey is HYZPZOGISIODHS-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H23NO2/c1-17-12-15(17)20-11-7-3-6-10-18(16(17)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,15H,3,6-7,10-13H2,1H3/t15-,17+/m0/s1.
What are the key properties of (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one?
(1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one has a molecular weight of 273.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,10R)-8-benzyl-10-methyl-2-oxa-8-azabicyclo[8.1.0]undecan-9-one is sourced from PubChem (CID 132528251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).