(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one

C11H19NO — CID 134858409

IUPAC(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
SMILESCC1CN(C)[C@@H]2C(=O)[C@H]1CC[C@@H]2C
InChIInChI=1S/C11H19NO/c1-7-4-5-9-8(2)6-12(3)10(7)11(9)13/h7-10H,4-6H2,1-3H3/t7-,8?,9-,10-/m0/s1
InChIKeyJDZPUUULIWPNHX-HFXXUHSDSA-N
MW181.28 g/mol
LogP1.55
Rot. Bonds

About (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one

(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one (PubChem CID 134858409) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
PubChem CID134858409
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
SMILESCC1CN(C)[C@@H]2C(=O)[C@H]1CC[C@@H]2C
InChIInChI=1S/C11H19NO/c1-7-4-5-9-8(2)6-12(3)10(7)11(9)13/h7-10H,4-6H2,1-3H3/t7-,8?,9-,10-/m0/s1
InChIKeyJDZPUUULIWPNHX-HFXXUHSDSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 131180143
2-Methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
CID 121220899
1-(4-Methylcyclohexyl)-2-piperidin-1-ylethanone
CID 58151881
1-(2-Methyl-2-azabicyclo[4.2.0]octan-3-yl)ethanone
CID 58849808
1-(7-Methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone
CID 59400951
1-(4-Ethyl-1-methyl-5-propylpiperidin-2-yl)ethanone
CID 68376989
7-Acetyl-1-propyl-2,3,4,4a,5,6,7,8a-octahydroquinolin-8-one
CID 70068839
3-Propan-2-yl-3-azabicyclo[3.3.1]nonan-7-one
CID 170676452
2-Methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 12447993
1-[1-(2-Ethylcyclohexyl)piperidin-2-yl]ethanone
CID 55252380
1-[1-(3-Ethylcyclohexyl)piperidin-2-yl]ethanone
CID 64256679
4-Cyclohexyl-1-methylpiperidin-3-one
CID 83484700

Frequently Asked Questions

What is the IUPAC name of (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one (CID 134858409) is (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one is CC1CN(C)[C@@H]2C(=O)[C@H]1CC[C@@H]2C.
What is the InChIKey of (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is JDZPUUULIWPNHX-HFXXUHSDSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-4-5-9-8(2)6-12(3)10(7)11(9)13/h7-10H,4-6H2,1-3H3/t7-,8?,9-,10-/m0/s1.
What are the key properties of (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one?
(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 181.28 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 134858409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).