3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride

C21H24ClNO — CID 24833924

IUPAC3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride
SMILESCN1C(c2ccccc2)C2CCCC(C2=O)C1c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-22-19(15-9-4-2-5-10-15)17-13-8-14-18(21(17)23)20(22)16-11-6-3-7-12-16;/h2-7,9-12,17-20H,8,13-14H2,1H3;1H
InChIKeyVOONYAWTWIOBSX-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.82
Rot. Bonds2

About 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride

3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride (PubChem CID 24833924) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride
PubChem CID24833924
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride
SMILESCN1C(c2ccccc2)C2CCCC(C2=O)C1c1ccccc1.Cl
InChIInChI=1S/C21H23NO.ClH/c1-22-19(15-9-4-2-5-10-15)17-13-8-14-18(21(17)23)20(22)16-11-6-3-7-12-16;/h2-7,9-12,17-20H,8,13-14H2,1H3;1H
InChIKeyVOONYAWTWIOBSX-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,2R,4R,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 40540984
[(1R,2R,4S,5R)-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydrazine
CID 50935450
(1S,2S,4R,5R)-N-methoxy-3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-imine
CID 54586140
(1R,2R,4S,5S,6S,8R)-3-methyl-2,4,6,8-tetraphenyl-3-azabicyclo[3.3.1]nonan-9-one
CID 98127168
4,8,9,10-tetraphenyl-1,3-diazatricyclo[5.1.1.13,5]decan-6-one
CID 2829339
(1S,2S,4R,5R)-3-methylsulfinyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonane
CID 132777133
(2-methylcyclopentyl)benzene
CID 12600454
2-methyl-1,3,5-triphenyl-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 15019688
2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
3-methyl-3,10-diazatetracyclo[10.3.1.02,11.04,9]hexadeca-4,6,8-trien-16-one
CID 12514136
(3aR,6aS)-5-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 67757259
(2R,3R,6S)-1-methyl-2,3,6-triphenylpiperidin-4-one
CID 11909630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride?
The IUPAC name of 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride (CID 24833924) is 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride.
What is the SMILES notation for 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride?
The canonical SMILES for 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride is CN1C(c2ccccc2)C2CCCC(C2=O)C1c1ccccc1.Cl.
What is the InChIKey of 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride?
The InChIKey is VOONYAWTWIOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-22-19(15-9-4-2-5-10-15)17-13-8-14-18(21(17)23)20(22)16-11-6-3-7-12-16;/h2-7,9-12,17-20H,8,13-14H2,1H3;1H.
What are the key properties of 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride?
3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one;hydrochloride is sourced from PubChem (CID 24833924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).