(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one

C15H19NO — CID 139445237

IUPAC(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
SMILESO=C1CCC[C@H]2CCC1N2Cc1ccccc1
InChIInChI=1S/C15H19NO/c17-15-8-4-7-13-9-10-14(15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14?/m0/s1
InChIKeyWZYBPGKITOYKHA-LSLKUGRBSA-N
MW229.32 g/mol
LogP2.77
Rot. Bonds2

About (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one

(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one (PubChem CID 139445237) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one.

Molecular Properties

Compound Name(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
PubChem CID139445237
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
SMILESO=C1CCC[C@H]2CCC1N2Cc1ccccc1
InChIInChI=1S/C15H19NO/c17-15-8-4-7-13-9-10-14(15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14?/m0/s1
InChIKeyWZYBPGKITOYKHA-LSLKUGRBSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10680204
7-benzyl-7-azabicyclo[2.2.1]heptan-2-one
CID 83679878
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
(1R,5R,6R)-6,8-dibenzyl-8-azabicyclo[3.2.1]octan-2-one
CID 10733396
(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
CID 10825058
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(2S)-2-[(2S)-1-benzylazepan-2-yl]cyclopentan-1-one
CID 99978810
(3aS,7aS)-1-benzyl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 86591295
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
8-benzyl-2-fluoro-8-azabicyclo[3.2.1]octan-3-one
CID 130054429
(1R,5S)-8-benzyl-3-chloro-8-azabicyclo[3.2.1]octane
CID 13382844

Frequently Asked Questions

What is the IUPAC name of (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one?
The IUPAC name of (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one (CID 139445237) is (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one.
What is the SMILES notation for (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one?
The canonical SMILES for (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one is O=C1CCC[C@H]2CCC1N2Cc1ccccc1.
What is the InChIKey of (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one?
The InChIKey is WZYBPGKITOYKHA-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H19NO/c17-15-8-4-7-13-9-10-14(15)16(13)11-12-5-2-1-3-6-12/h1-3,5-6,13-14H,4,7-11H2/t13-,14?/m0/s1.
What are the key properties of (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one?
(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one has a molecular weight of 229.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one is sourced from PubChem (CID 139445237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).