2-methyl-2-azabicyclo[3.3.1]nonan-9-one

C9H15NO — CID 130031380

IUPAC2-methyl-2-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CCC2CCCC1C2=O
InChIInChI=1S/C9H15NO/c1-10-6-5-7-3-2-4-8(10)9(7)11/h7-8H,2-6H2,1H3
InChIKeyIZYLHYQRGAVGRG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds

About 2-methyl-2-azabicyclo[3.3.1]nonan-9-one

2-methyl-2-azabicyclo[3.3.1]nonan-9-one (PubChem CID 130031380) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-2-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name2-methyl-2-azabicyclo[3.3.1]nonan-9-one
PubChem CID130031380
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-2-azabicyclo[3.3.1]nonan-9-one
SMILESCN1CCC2CCCC1C2=O
InChIInChI=1S/C9H15NO/c1-10-6-5-7-3-2-4-8(10)9(7)11/h7-8H,2-6H2,1H3
InChIKeyIZYLHYQRGAVGRG-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 ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 12380050
(1S,6R,8R)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 130753076
(1S,6R,8S)-7-ethyl-8-methyl-7-azabicyclo[4.2.0]octan-5-one
CID 131135580
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 131180143
(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 134858409
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134858420
2-Methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
CID 121220899
9-Methyl-1-azabicyclo[3.3.1]nonan-3-one
CID 54270404
2-Azabicyclo[3.3.1]nonan-6-one
CID 57485743
1-[(1S,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
CID 58543996
1-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
CID 58544004
1-[(1R,3S)-3-(4-methylpiperazin-1-yl)cyclohexyl]ethanone
CID 58544013

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of 2-methyl-2-azabicyclo[3.3.1]nonan-9-one (CID 130031380) is 2-methyl-2-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for 2-methyl-2-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for 2-methyl-2-azabicyclo[3.3.1]nonan-9-one is CN1CCC2CCCC1C2=O.
What is the InChIKey of 2-methyl-2-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is IZYLHYQRGAVGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-6-5-7-3-2-4-8(10)9(7)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-methyl-2-azabicyclo[3.3.1]nonan-9-one?
2-methyl-2-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 153.22 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 2-methyl-2-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 130031380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).