(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one

C11H19NO — CID 102234242

IUPAC(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)C1C(=O)C[C@H]2CC[C@@H]1N2C
InChIInChI=1S/C11H19NO/c1-7(2)11-9-5-4-8(12(9)3)6-10(11)13/h7-9,11H,4-6H2,1-3H3/t8-,9+,11?/m1/s1
InChIKeyXEQPSUHVKQCRQE-VFXVZZSQSA-N
MW181.28 g/mol
LogP1.69
Rot. Bonds1

About (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one

(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 102234242) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID102234242
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)C1C(=O)C[C@H]2CC[C@@H]1N2C
InChIInChI=1S/C11H19NO/c1-7(2)11-9-5-4-8(12(9)3)6-10(11)13/h7-9,11H,4-6H2,1-3H3/t8-,9+,11?/m1/s1
InChIKeyXEQPSUHVKQCRQE-VFXVZZSQSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one (CID 102234242) is (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one is CC(C)C1C(=O)C[C@H]2CC[C@@H]1N2C.
What is the InChIKey of (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is XEQPSUHVKQCRQE-VFXVZZSQSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(2)11-9-5-4-8(12(9)3)6-10(11)13/h7-9,11H,4-6H2,1-3H3/t8-,9+,11?/m1/s1.
What are the key properties of (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 102234242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).