9-methyl-1-azabicyclo[3.3.1]nonan-3-one

C9H15NO — CID 54270404

IUPAC9-methyl-1-azabicyclo[3.3.1]nonan-3-one
SMILESCC1C2CCCN1CC(=O)C2
InChIInChI=1S/C9H15NO/c1-7-8-3-2-4-10(7)6-9(11)5-8/h7-8H,2-6H2,1H3
InChIKeyRJSFNFRAKCRVTO-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds

About 9-methyl-1-azabicyclo[3.3.1]nonan-3-one

9-methyl-1-azabicyclo[3.3.1]nonan-3-one (PubChem CID 54270404) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 9-methyl-1-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-methyl-1-azabicyclo[3.3.1]nonan-3-one
PubChem CID54270404
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name9-methyl-1-azabicyclo[3.3.1]nonan-3-one
SMILESCC1C2CCCN1CC(=O)C2
InChIInChI=1S/C9H15NO/c1-7-8-3-2-4-10(7)6-9(11)5-8/h7-8H,2-6H2,1H3
InChIKeyRJSFNFRAKCRVTO-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,5,6-Trimethylpiperidin-3-one
CID 566749
2-Methyl-1-azabicyclo[3.3.1]nonan-4-one
CID 417901
1-Azabicyclo[3.3.1]nonan-3-one
CID 10374530
1-(1-Azabicyclo[2.2.2]octan-2-yl)ethan-1-one
CID 45085964
n-Butyl 3-quinuclidinone
CID 68419469
2-Acetyl-5-oxoquinuclidine
CID 129794770
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 131180143
2-Methyl-2-azabicyclo[2.2.2]octan-6-one
CID 12420130
6-Methyl-1-azabicyclo[2.2.2]octan-3-one
CID 14869403
2-Propan-2-yl-2-azabicyclo[2.2.2]octan-6-one
CID 21029399
2-Tert-butyl-2-azabicyclo[2.2.2]octan-6-one
CID 21029401
2,6,6-Trimethyl-2-azabicyclo[3.1.1]heptan-4-one
CID 21572216

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-methyl-1-azabicyclo[3.3.1]nonan-3-one (CID 54270404) is 9-methyl-1-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-methyl-1-azabicyclo[3.3.1]nonan-3-one is CC1C2CCCN1CC(=O)C2.
What is the InChIKey of 9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is RJSFNFRAKCRVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-8-3-2-4-10(7)6-9(11)5-8/h7-8H,2-6H2,1H3.
What are the key properties of 9-methyl-1-azabicyclo[3.3.1]nonan-3-one?
9-methyl-1-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 153.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 54270404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).