(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

C16H21NO2 — CID 10106633

IUPAC(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCOc1cccc([C@@]23CCN(C)[C@@H](CC(=O)C2)C3)c1
InChIInChI=1S/C16H21NO2/c1-17-7-6-16(10-13(17)9-14(18)11-16)12-4-3-5-15(8-12)19-2/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-,16+/m0/s1
InChIKeyRMXPANLFBPCCIX-XJKSGUPXSA-N
MW259.35 g/mol
LogP2.39
Rot. Bonds2

About (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one

(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one (PubChem CID 10106633) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one.

Molecular Properties

Compound Name(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
PubChem CID10106633
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
SMILESCOc1cccc([C@@]23CCN(C)[C@@H](CC(=O)C2)C3)c1
InChIInChI=1S/C16H21NO2/c1-17-7-6-16(10-13(17)9-14(18)11-16)12-4-3-5-15(8-12)19-2/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-,16+/m0/s1
InChIKeyRMXPANLFBPCCIX-XJKSGUPXSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5aR,8aS)-5a-(3-methoxyphenyl)-2-methyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[c]azepin-1-one
CID 86736363
1-(3-methoxyphenyl)adamantane
CID 54036220
(4aR,6R,8aR)-4a-(3-methoxyphenyl)-2,6-dimethyl-4,5,6,8a-tetrahydro-3H-isoquinolin-1-one
CID 10424075
(1R,16S)-1-(3-methoxyphenyl)-17-methyl-13,17-diazapentacyclo[14.3.1.02,14.03,12.06,11]icosa-2(14),3(12),4,6,8,10-hexaene
CID 10022797
(4aR,8aS)-2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
CID 10827156
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
[(1S,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-2-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 51002779
(1S,16S)-16-(3-methoxyphenyl)-19-methyl-13,19-diazapentacyclo[14.3.1.02,14.03,12.06,11]icosa-2(14),3(12),4,6,8,10-hexaene
CID 10068488
(1S,5R)-5-(3-methoxyphenyl)-2-[[(1R,2S)-2-phenylcyclopropyl]methyl]-2-azabicyclo[3.3.1]nonane
CID 51002783
(3R)-3-(3-methoxyphenyl)-1,3-dimethylazepan-2-one
CID 11831761
(4aR,8aS)-2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
CID 15811895
7-ethyl-1-(3-methoxyphenyl)-6-methyl-6-azabicyclo[3.2.1]octane;hydrobromide
CID 74070212

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The IUPAC name of (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one (CID 10106633) is (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one.
What is the SMILES notation for (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The canonical SMILES for (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one is COc1cccc([C@@]23CCN(C)[C@@H](CC(=O)C2)C3)c1.
What is the InChIKey of (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
The InChIKey is RMXPANLFBPCCIX-XJKSGUPXSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-7-6-16(10-13(17)9-14(18)11-16)12-4-3-5-15(8-12)19-2/h3-5,8,13H,6-7,9-11H2,1-2H3/t13-,16+/m0/s1.
What are the key properties of (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one?
(1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one has a molecular weight of 259.35 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-(3-methoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one is sourced from PubChem (CID 10106633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).