7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one

C10H17NO — CID 59841570

IUPAC7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C10H17NO/c1-7-3-8-5-10(12)6-9(4-7)11(8)2/h7-9H,3-6H2,1-2H3
InChIKeyIHYKHVWMSBWWRL-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.45
Rot. Bonds

About 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one

7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 59841570) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID59841570
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCC1CC2CC(=O)CC(C1)N2C
InChIInChI=1S/C10H17NO/c1-7-3-8-5-10(12)6-9(4-7)11(8)2/h7-9H,3-6H2,1-2H3
InChIKeyIHYKHVWMSBWWRL-UHFFFAOYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one (CID 59841570) is 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one is CC1CC2CC(=O)CC(C1)N2C.
What is the InChIKey of 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is IHYKHVWMSBWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7-3-8-5-10(12)6-9(4-7)11(8)2/h7-9H,3-6H2,1-2H3.
What are the key properties of 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one?
7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 59841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).