9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one

C18H23NO — CID 62714116

IUPAC9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1CCCc2ccccc21
InChIInChI=1S/C18H23NO/c20-16-11-14-7-4-8-15(12-16)19(14)18-10-3-6-13-5-1-2-9-17(13)18/h1-2,5,9,14-15,18H,3-4,6-8,10-12H2
InChIKeyKQJQRLDLPCIKIB-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.65
Rot. Bonds1

About 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one

9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 62714116) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID62714116
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2C1CCCc2ccccc21
InChIInChI=1S/C18H23NO/c20-16-11-14-7-4-8-15(12-16)19(14)18-10-3-6-13-5-1-2-9-17(13)18/h1-2,5,9,14-15,18H,3-4,6-8,10-12H2
InChIKeyKQJQRLDLPCIKIB-UHFFFAOYSA-N
XLogP3.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(1,2,3,4-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739442
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1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
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1,2,3,6,7,11b-hexahydrobenzo[a]quinolizin-4-one
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1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazolidin-2-one
CID 124578698
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
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2,5-dimethyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrole
CID 94161380
(11bR)-1,2,5,6,7,11b-hexahydropyrrolo[2,1-a][2]benzazepin-3-one
CID 56956909
5-oxo-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxylic acid
CID 168690355
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102
9-cyclopentyl-9-azabicyclo[3.3.1]nonan-3-one
CID 62713753

Frequently Asked Questions

What is the IUPAC name of 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one (CID 62714116) is 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2C1CCCc2ccccc21.
What is the InChIKey of 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is KQJQRLDLPCIKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c20-16-11-14-7-4-8-15(12-16)19(14)18-10-3-6-13-5-1-2-9-17(13)18/h1-2,5,9,14-15,18H,3-4,6-8,10-12H2.
What are the key properties of 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one?
9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 269.39 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,2,3,4-tetrahydronaphthalen-1-yl)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 62714116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).