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

C10H17NO — CID 51416810

IUPAC(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)N1[C@@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3/t8-,9+
InChIKeyAKETXTOLBLTPTP-DTORHVGOSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds1

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

(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 51416810) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID51416810
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C)N1[C@@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3/t8-,9+
InChIKeyAKETXTOLBLTPTP-DTORHVGOSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one (CID 51416810) is (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one is CC(C)N1[C@@H]2CC[C@H]1CC(=O)C2.
What is the InChIKey of (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is AKETXTOLBLTPTP-DTORHVGOSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3/t8-,9+.
What are the key properties of (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one?
(1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 51416810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).