1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one

C9H15NO — CID 13449492

IUPAC1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(C)(CC(=O)C1)N2
InChIInChI=1S/C9H15NO/c1-8-3-4-9(2,10-8)6-7(11)5-8/h10H,3-6H2,1-2H3
InChIKeyCSXLPKKLAXMWAA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.25
Rot. Bonds

About 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one

1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 13449492) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID13449492
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC12CCC(C)(CC(=O)C1)N2
InChIInChI=1S/C9H15NO/c1-8-3-4-9(2,10-8)6-7(11)5-8/h10H,3-6H2,1-2H3
InChIKeyCSXLPKKLAXMWAA-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one (CID 13449492) is 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one is CC12CCC(C)(CC(=O)C1)N2.
What is the InChIKey of 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CSXLPKKLAXMWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-8-3-4-9(2,10-8)6-7(11)5-8/h10H,3-6H2,1-2H3.
What are the key properties of 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 13449492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).