8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one

C17H17NO — CID 21290649

IUPAC8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c19-17-10-15-7-8-16(11-17)18(15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16H,7-8,10-11H2
InChIKeyYUMHSKIIYLIPFY-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.54
Rot. Bonds1

About 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one

8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 21290649) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID21290649
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2ccccc2c1
InChIInChI=1S/C17H17NO/c19-17-10-15-7-8-16(11-17)18(15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16H,7-8,10-11H2
InChIKeyYUMHSKIIYLIPFY-UHFFFAOYSA-N
XLogP3.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
CID 81267160
8-quinolin-6-yl-8-azabicyclo[3.2.1]octan-3-one
CID 62738405
(1R,5R)-8-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 98116144
8-(3-chlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62739931
8-(3-fluoro-4-methylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62741010
8-(3,5-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 62738555
9-(3,4-dichlorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62713577
8-(4-ethylphenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 55106421
8-(4-chloro-3-nitrophenyl)-8-azabicyclo[3.2.1]octan-3-one
CID 107812145
9-(3-bromo-4-methylphenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55203287
9-(4-chloro-3-fluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55106219
9-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 62713403

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one (CID 21290649) is 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2c1ccc2ccccc2c1.
What is the InChIKey of 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YUMHSKIIYLIPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c19-17-10-15-7-8-16(11-17)18(15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9,15-16H,7-8,10-11H2.
What are the key properties of 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one?
8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 251.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-naphthalen-2-yl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 21290649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).