3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one

C10H17NO — CID 43810970

IUPAC3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)N1CC2CCC(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
InChIKeyPKRSHJSQEQZFSE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds1

About 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one

3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 43810970) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
PubChem CID43810970
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
SMILESCC(C)N1CC2CCC(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
InChIKeyPKRSHJSQEQZFSE-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one (CID 43810970) is 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one is CC(C)N1CC2CCC(C1)C2=O.
What is the InChIKey of 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is PKRSHJSQEQZFSE-UHFFFAOYSA-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.
What are the key properties of 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one?
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 3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 43810970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).