furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C19H21NO2 — CID 16669260

IUPACfuran-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(C2CC3CCC(C2)N3C(=O)c2ccco2)cc1
InChIInChI=1S/C19H21NO2/c1-13-4-6-14(7-5-13)15-11-16-8-9-17(12-15)20(16)19(21)18-3-2-10-22-18/h2-7,10,15-17H,8-9,11-12H2,1H3
InChIKeyVREKULAJVMTRJA-UHFFFAOYSA-N
MW295.38 g/mol
LogP4.14
Rot. Bonds2

About furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 16669260) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID16669260
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Namefuran-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCc1ccc(C2CC3CCC(C2)N3C(=O)c2ccco2)cc1
InChIInChI=1S/C19H21NO2/c1-13-4-6-14(7-5-13)15-11-16-8-9-17(12-15)20(16)19(21)18-3-2-10-22-18/h2-7,10,15-17H,8-9,11-12H2,1H3
InChIKeyVREKULAJVMTRJA-UHFFFAOYSA-N
XLogP4.14
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 16669260) is furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1ccc(C2CC3CCC(C2)N3C(=O)c2ccco2)cc1.
What is the InChIKey of furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is VREKULAJVMTRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-4-6-14(7-5-13)15-11-16-8-9-17(12-15)20(16)19(21)18-3-2-10-22-18/h2-7,10,15-17H,8-9,11-12H2,1H3.
What are the key properties of furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 295.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 16669260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).