8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one

C17H21NO — CID 55105948

IUPAC8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1cccc2c1CCCC2
InChIInChI=1S/C17H21NO/c19-15-10-13-8-9-14(11-15)18(13)17-7-3-5-12-4-1-2-6-16(12)17/h3,5,7,13-14H,1-2,4,6,8-11H2
InChIKeyQZRBMRSNUVXMBX-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.27
Rot. Bonds1

About 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 55105948) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID55105948
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1cccc2c1CCCC2
InChIInChI=1S/C17H21NO/c19-15-10-13-8-9-14(11-15)18(13)17-7-3-5-12-4-1-2-6-16(12)17/h3,5,7,13-14H,1-2,4,6,8-11H2
InChIKeyQZRBMRSNUVXMBX-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1R,5R)-3-oxo-8-azabicyclo[3.2.1]octan-8-yl]naphthalene-1-carbonitrile
CID 45486116
7-pyrrolidin-1-yl-3,4-dihydro-2H-naphthalen-1-one
CID 59199447
5-Ethyl-1-methyl-2-phenyl-2,3-dihydroquinolin-4-one
CID 44325560
1,2-Diphenylpiperidin-4-one
CID 56846102
1-[2-(2-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]hexan-2-one
CID 71567974
1-[2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]propan-2-one
CID 101779528
1-[2-(4-fluorophenyl)-3,4-dihydro-1H-isoquinolin-1-yl]butan-2-one
CID 102452418
1,5-Diphenyl-3-pyrrolidone
CID 12560066
4-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)butan-2-one
CID 71661449
1-(2,3-Dimethylphenyl)-2-(2,4,6-trifluorophenyl)-2,3-dihydropyridin-4-one
CID 142452884
(1R,5R,7S)-6,7-diphenyl-6-azabicyclo[3.2.2]nonan-8-one
CID 15352468
1-(2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)pentan-2-one
CID 25229452

Frequently Asked Questions

What is the IUPAC name of 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 55105948) is 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2c1cccc2c1CCCC2.
What is the InChIKey of 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is QZRBMRSNUVXMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c19-15-10-13-8-9-14(11-15)18(13)17-7-3-5-12-4-1-2-6-16(12)17/h3,5,7,13-14H,1-2,4,6,8-11H2.
What are the key properties of 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 255.36 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5,6,7,8-tetrahydronaphthalen-1-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 55105948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).