9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone

C21H23NO — CID 171943255

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)C1CC2CCCC(C1)N2
InChIInChI=1S/C21H23NO/c23-21(16-13-17-9-6-10-18(14-16)22-17)20-12-5-4-11-19(20)15-7-2-1-3-8-15/h1-5,7-8,11-12,16-18,22H,6,9-10,13-14H2
InChIKeyWAOOXGJOHAHWCS-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.46
Rot. Bonds3

About 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone

9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone (PubChem CID 171943255) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
PubChem CID171943255
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)C1CC2CCCC(C1)N2
InChIInChI=1S/C21H23NO/c23-21(16-13-17-9-6-10-18(14-16)22-17)20-12-5-4-11-19(20)15-7-2-1-3-8-15/h1-5,7-8,11-12,16-18,22H,6,9-10,13-14H2
InChIKeyWAOOXGJOHAHWCS-UHFFFAOYSA-N
XLogP4.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone with MolForge

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Related Compounds

(2-phenylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171943261
(2-phenylphenyl)-(8-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171943252
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-phenylphenyl)methanone
CID 171943246
9-azabicyclo[3.3.1]nonan-3-yl(1-benzofuran-3-yl)methanone
CID 171945820
9H-fluoren-9-ylmethyl 3-(2-phenylbenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171943259
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 171949569
[2-(4-chlorophenyl)phenyl]-cyclohexylmethanone
CID 58080078
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
(9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-(2-phenylphenyl)methanone
CID 171943266
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949519
1-(9-azabicyclo[3.3.1]nonan-3-yl)-4-phenylbutan-1-one
CID 171947997
8-azabicyclo[3.2.1]octan-3-yl(1-benzofuran-3-yl)methanone
CID 171945810

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone (CID 171943255) is 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone?
The InChIKey is WAOOXGJOHAHWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(16-13-17-9-6-10-18(14-16)22-17)20-12-5-4-11-19(20)15-7-2-1-3-8-15/h1-5,7-8,11-12,16-18,22H,6,9-10,13-14H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone has a molecular weight of 305.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-(2-phenylphenyl)methanone is sourced from PubChem (CID 171943255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).