1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone

C11H19NO — CID 18966537

IUPAC1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone
SMILESCC(=O)C1CCCC2CCC1N2C
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h9-11H,3-7H2,1-2H3
InChIKeyMIPUPMHPHCBCEX-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone

1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone (PubChem CID 18966537) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone.

Molecular Properties

Compound Name1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone
PubChem CID18966537
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone
SMILESCC(=O)C1CCCC2CCC1N2C
InChIInChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h9-11H,3-7H2,1-2H3
InChIKeyMIPUPMHPHCBCEX-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone?
The IUPAC name of 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone (CID 18966537) is 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone.
What is the SMILES notation for 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone?
The canonical SMILES for 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone is CC(=O)C1CCCC2CCC1N2C.
What is the InChIKey of 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone?
The InChIKey is MIPUPMHPHCBCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)10-5-3-4-9-6-7-11(10)12(9)2/h9-11H,3-7H2,1-2H3.
What are the key properties of 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone?
1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-9-azabicyclo[4.2.1]nonan-2-yl)ethanone is sourced from PubChem (CID 18966537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).