(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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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).