(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one

C20H21NO — CID 15352468

IUPAC(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one
SMILESO=C1C[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N2c1ccccc1
InChIInChI=1S/C20H21NO/c22-19-14-17-12-7-13-18(19)20(15-8-3-1-4-9-15)21(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+,20-/m1/s1
InChIKeyVZIBNTPQGBFLTK-WSTZPKSXSA-N
MW291.39 g/mol
LogP4.38
Rot. Bonds2

About (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one

(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one (PubChem CID 15352468) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one.

Molecular Properties

Compound Name(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one
PubChem CID15352468
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one
SMILESO=C1C[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N2c1ccccc1
InChIInChI=1S/C20H21NO/c22-19-14-17-12-7-13-18(19)20(15-8-3-1-4-9-15)21(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+,20-/m1/s1
InChIKeyVZIBNTPQGBFLTK-WSTZPKSXSA-N
XLogP4.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one?
The IUPAC name of (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one (CID 15352468) is (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one.
What is the SMILES notation for (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one?
The canonical SMILES for (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one is O=C1C[C@H]2CCC[C@@H]1[C@@H](c1ccccc1)N2c1ccccc1.
What is the InChIKey of (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one?
The InChIKey is VZIBNTPQGBFLTK-WSTZPKSXSA-N. The full InChI is InChI=1S/C20H21NO/c22-19-14-17-12-7-13-18(19)20(15-8-3-1-4-9-15)21(17)16-10-5-2-6-11-16/h1-6,8-11,17-18,20H,7,12-14H2/t17-,18+,20-/m1/s1.
What are the key properties of (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one?
(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one has a molecular weight of 291.39 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one is sourced from PubChem (CID 15352468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).