1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

C11H19NO — CID 25098131

IUPAC1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCCC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C11H19NO/c1-2-11(13)10-4-8-3-9(5-10)7-12-6-8/h8-10,12H,2-7H2,1H3
InChIKeyABUNODSBNZTCBA-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.60
Rot. Bonds2

About 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one

1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (PubChem CID 25098131) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
PubChem CID25098131
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
SMILESCCC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C11H19NO/c1-2-11(13)10-4-8-3-9(5-10)7-12-6-8/h8-10,12H,2-7H2,1H3
InChIKeyABUNODSBNZTCBA-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The IUPAC name of 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one (CID 25098131) is 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one.
What is the SMILES notation for 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The canonical SMILES for 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is CCC(=O)C1CC2CNCC(C2)C1.
What is the InChIKey of 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
The InChIKey is ABUNODSBNZTCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-11(13)10-4-8-3-9(5-10)7-12-6-8/h8-10,12H,2-7H2,1H3.
What are the key properties of 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one?
1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.3.1]nonan-7-yl)propan-1-one is sourced from PubChem (CID 25098131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).