(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one

C14H17NO — CID 10680204

IUPAC(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C14H17NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChIKeyGWVYHAOGBUOWIL-QWHCGFSZSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds2

About (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one

(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one (PubChem CID 10680204) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
PubChem CID10680204
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one
SMILESO=C1CC[C@@H]2CC[C@H]1N2Cc1ccccc1
InChIInChI=1S/C14H17NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1
InChIKeyGWVYHAOGBUOWIL-QWHCGFSZSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6S)-9-benzyl-9-azabicyclo[4.2.1]nonan-2-one
CID 139445237
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
8-benzyl-3,8-diazabicyclo[3.2.1]octane-2,4-dione
CID 53484443
(1R,5R,6S)-8-benzyl-6-propyl-8-azabicyclo[3.2.1]octan-2-one
CID 10825058
(1R,2R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-ol
CID 10751259
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
(1R,5R)-2-benzyl-4,4-dichloro-2-azabicyclo[3.3.1]nonane-3,6-dione
CID 10710205
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104
1-benzyl-3,4,4a,5,6,7a-hexahydro-2H-cyclopenta[b]pyridin-7-one
CID 83823768

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one (CID 10680204) is (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one is O=C1CC[C@@H]2CC[C@H]1N2Cc1ccccc1.
What is the InChIKey of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one?
The InChIKey is GWVYHAOGBUOWIL-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-9-7-12-6-8-13(14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2/t12-,13+/m0/s1.
What are the key properties of (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one?
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 10680204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).