(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one

C18H31NO — CID 144657404

IUPAC(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCC[C@@H](C1)N2C1CCCCCCCCC1
InChIInChI=1S/C18H31NO/c20-18-13-16-11-8-12-17(14-18)19(16)15-9-6-4-2-1-3-5-7-10-15/h15-17H,1-14H2/t16-,17?/m0/s1
InChIKeyFKLRHTITEWOIQM-BHWOMJMDSA-N
MW277.45 g/mol
LogP4.47
Rot. Bonds1

About (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one

(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 144657404) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID144657404
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCC[C@@H](C1)N2C1CCCCCCCCC1
InChIInChI=1S/C18H31NO/c20-18-13-16-11-8-12-17(14-18)19(16)15-9-6-4-2-1-3-5-7-10-15/h15-17H,1-14H2/t16-,17?/m0/s1
InChIKeyFKLRHTITEWOIQM-BHWOMJMDSA-N
XLogP4.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

psi-Pelletierine
CID 11096
Pseudopelletierine
CID 6602484
Myrtine
CID 433955
(+)-Myrtine
CID 10888295
9-Azabicyclo[3.3.1]nonan-3-one, hydrochloride
CID 2724428
(+)-Epimyrtine
CID 13115690
Pseudopelletierine hydrochloride
CID 6419951
Epimyrtine, (-)-
CID 10866719
Hexahydro-1H-quinolizin-2(6H)-one
CID 2752056
(9aS)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-one
CID 7055065
9-(2,2,2-Trifluoro-ethyl)-9-aza-bicyclo[3.3.1]nonan-3-one
CID 62714827
5-Methyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-5-ium-2-one
CID 418353

Frequently Asked Questions

What is the IUPAC name of (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one (CID 144657404) is (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCC[C@@H](C1)N2C1CCCCCCCCC1.
What is the InChIKey of (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is FKLRHTITEWOIQM-BHWOMJMDSA-N. The full InChI is InChI=1S/C18H31NO/c20-18-13-16-11-8-12-17(14-18)19(16)15-9-6-4-2-1-3-5-7-10-15/h15-17H,1-14H2/t16-,17?/m0/s1.
What are the key properties of (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one?
(5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 277.45 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-cyclodecyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 144657404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).