3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one

C19H19NO — CID 16642154

IUPAC3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one
SMILESCC1CC2(c3ccccc3)NC(c3ccccc3)(C1)C2=O
InChIInChI=1S/C19H19NO/c1-14-12-18(15-8-4-2-5-9-15)17(21)19(13-14,20-18)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChIKeySRTOSOBTVMFSBG-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.38
Rot. Bonds2

About 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one

3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one (PubChem CID 16642154) has the molecular formula C19H19NO and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one.

Molecular Properties

Compound Name3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one
PubChem CID16642154
Molecular FormulaC19H19NO
Molecular Weight277.37 g/mol
Exact Mass277.15
IUPAC Name3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one
SMILESCC1CC2(c3ccccc3)NC(c3ccccc3)(C1)C2=O
InChIInChI=1S/C19H19NO/c1-14-12-18(15-8-4-2-5-9-15)17(21)19(13-14,20-18)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3
InChIKeySRTOSOBTVMFSBG-UHFFFAOYSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one?
The IUPAC name of 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one (CID 16642154) is 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one.
What is the SMILES notation for 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one?
The canonical SMILES for 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one is CC1CC2(c3ccccc3)NC(c3ccccc3)(C1)C2=O.
What is the InChIKey of 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one?
The InChIKey is SRTOSOBTVMFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO/c1-14-12-18(15-8-4-2-5-9-15)17(21)19(13-14,20-18)16-10-6-3-7-11-16/h2-11,14,20H,12-13H2,1H3.
What are the key properties of 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one?
3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one has a molecular weight of 277.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,5-diphenyl-6-azabicyclo[3.1.1]heptan-7-one is sourced from PubChem (CID 16642154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).