(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one

C15H19NO2 — CID 16756620

IUPAC(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
SMILESCOc1cccc([C@@]23CCC[C@@H](NCC2)C3=O)c1
InChIInChI=1S/C15H19NO2/c1-18-12-5-2-4-11(10-12)15-7-3-6-13(14(15)17)16-9-8-15/h2,4-5,10,13,16H,3,6-9H2,1H3/t13-,15-/m1/s1
InChIKeyHGXVZUWXGPITRX-UKRRQHHQSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds2

About (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one

(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one (PubChem CID 16756620) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
PubChem CID16756620
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
SMILESCOc1cccc([C@@]23CCC[C@@H](NCC2)C3=O)c1
InChIInChI=1S/C15H19NO2/c1-18-12-5-2-4-11(10-12)15-7-3-6-13(14(15)17)16-9-8-15/h2,4-5,10,13,16H,3,6-9H2,1H3/t13-,15-/m1/s1
InChIKeyHGXVZUWXGPITRX-UKRRQHHQSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
(1S,5S)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonane
CID 125485645
(5aR,8aR)-5a-(3-methoxyphenyl)-2,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-1-one
CID 70607710
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195
(3R)-3-(3-methoxyphenyl)-3-(4-methoxyphenyl)cyclohexan-1-one
CID 134963199
[3-[1-(3-methoxyphenyl)cyclohexyl]phenyl] acetate
CID 20746508
(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
6-bromo-2-(3-methoxyphenyl)-2-propylcyclohexan-1-one
CID 67096197
1-(3-methoxyphenyl)-2-methylcyclopentan-1-amine
CID 79679338
trans-(1R,2S)-1-(3-methoxyphenyl)-2-methylcyclopentan-1-ol
CID 124509188
2-(3-methoxyphenyl)-2-methylcyclopentan-1-one
CID 14565708

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one (CID 16756620) is (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one is COc1cccc([C@@]23CCC[C@@H](NCC2)C3=O)c1.
What is the InChIKey of (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is HGXVZUWXGPITRX-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-12-5-2-4-11(10-12)15-7-3-6-13(14(15)17)16-9-8-15/h2,4-5,10,13,16H,3,6-9H2,1H3/t13-,15-/m1/s1.
What are the key properties of (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one?
(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 245.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 16756620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).