8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one

C17H16BrNO — CID 81267160

IUPAC8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNO/c18-13-3-1-12-8-14(4-2-11(12)7-13)19-15-5-6-16(19)10-17(20)9-15/h1-4,7-8,15-16H,5-6,9-10H2
InChIKeyYBLMDBFSPJETLV-UHFFFAOYSA-N
MW330.23 g/mol
LogP4.30
Rot. Bonds1

About 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 81267160) has the molecular formula C17H16BrNO and a molecular weight of 330.23 g/mol. Its IUPAC name is 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID81267160
Molecular FormulaC17H16BrNO
Molecular Weight330.23 g/mol
Exact Mass329.04
IUPAC Name8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESO=C1CC2CCC(C1)N2c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C17H16BrNO/c18-13-3-1-12-8-14(4-2-11(12)7-13)19-15-5-6-16(19)10-17(20)9-15/h1-4,7-8,15-16H,5-6,9-10H2
InChIKeyYBLMDBFSPJETLV-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.23
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 81267160) is 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one is O=C1CC2CCC(C1)N2c1ccc2cc(Br)ccc2c1.
What is the InChIKey of 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YBLMDBFSPJETLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-13-3-1-12-8-14(4-2-11(12)7-13)19-15-5-6-16(19)10-17(20)9-15/h1-4,7-8,15-16H,5-6,9-10H2.
What are the key properties of 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 330.23 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-bromonaphthalen-2-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 81267160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).