(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one

C11H19NO — CID 25324115

IUPAC(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C11H19NO/c1-8(2)12-6-9-4-3-5-10(7-12)11(9)13/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyXJMQPSKRAIRWLP-AOOOYVTPSA-N
MW181.28 g/mol
LogP1.70
Rot. Bonds1

About (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one

(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one (PubChem CID 25324115) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one.

Molecular Properties

Compound Name(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
PubChem CID25324115
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
SMILESCC(C)N1C[C@H]2CCC[C@@H](C1)C2=O
InChIInChI=1S/C11H19NO/c1-8(2)12-6-9-4-3-5-10(7-12)11(9)13/h8-10H,3-7H2,1-2H3/t9-,10+
InChIKeyXJMQPSKRAIRWLP-AOOOYVTPSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
CID 58431143
1-methyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]pyrrolidin-2-one
CID 106252950
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
ethane;2-propan-2-yl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 159480431
(1S,6S)-bicyclo[4.2.1]nonan-9-one
CID 98153778
3-phenyl-1-propan-2-ylazetidine
CID 23628
11-propan-2-yl-8-oxa-11-azabicyclo[4.3.3]dodecane
CID 167139033
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one?
The IUPAC name of (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one (CID 25324115) is (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one.
What is the SMILES notation for (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one?
The canonical SMILES for (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one is CC(C)N1C[C@H]2CCC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one?
The InChIKey is XJMQPSKRAIRWLP-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)12-6-9-4-3-5-10(7-12)11(9)13/h8-10H,3-7H2,1-2H3/t9-,10+.
What are the key properties of (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one?
(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one has a molecular weight of 181.28 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one is sourced from PubChem (CID 25324115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).