9-azabicyclo[3.3.1]nonan-3-one;hydrochloride

C8H14ClNO — CID 19791523

IUPAC9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCl.O=C1CC2CCCC(C1)N2
InChIInChI=1S/C8H13NO.ClH/c10-8-4-6-2-1-3-7(5-8)9-6;/h6-7,9H,1-5H2;1H
InChIKeyXGESYOBZBRDUBC-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.28
Rot. Bonds

About 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride

9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (PubChem CID 19791523) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
PubChem CID19791523
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCl.O=C1CC2CCCC(C1)N2
InChIInChI=1S/C8H13NO.ClH/c10-8-4-6-2-1-3-7(5-8)9-6;/h6-7,9H,1-5H2;1H
InChIKeyXGESYOBZBRDUBC-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (CID 19791523) is 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is Cl.O=C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The InChIKey is XGESYOBZBRDUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.ClH/c10-8-4-6-2-1-3-7(5-8)9-6;/h6-7,9H,1-5H2;1H.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
9-azabicyclo[3.3.1]nonan-3-one;hydrochloride has a molecular weight of 175.66 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is sourced from PubChem (CID 19791523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).