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

C10H17NO — CID 98053855

IUPAC(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)N1C[C@@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H17NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyPKRSHJSQEQZFSE-IUCAKERBSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds1

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

(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 98053855) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
PubChem CID98053855
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)N1C[C@@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H17NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyPKRSHJSQEQZFSE-IUCAKERBSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 43810970
(1S,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-one
CID 25324115
3,5-dimethyl-1-propan-2-ylpiperidin-4-one
CID 59563444
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
CID 98070007
3-phenyl-1-propan-2-ylazetidine
CID 23628
(3R,6R)-3,6-dimethyl-1-propan-2-ylazepane
CID 174341942
3-[(3R)-1-propan-2-ylpiperidin-3-yl]-4H-1,2-oxazol-5-one
CID 58431143
3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one
CID 123415908
3-methylsulfinyl-1-propan-2-ylazetidine
CID 122414297
3-(1-propan-2-ylazetidin-3-yl)oxetan-2-one
CID 176637034
7-(1-aminopropan-2-yl)-3-thia-7-azabicyclo[3.3.1]nonan-9-one
CID 112546280

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one (CID 98053855) is (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one is CC(C)N1C[C@@H]2CC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is PKRSHJSQEQZFSE-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)11-5-8-3-4-9(6-11)10(8)12/h7-9H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one has a molecular weight of 167.25 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 98053855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).