8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide

C11H20INO — CID 172885108

IUPAC8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
SMILESCCCCN1C2CCC1CC(=O)C2.I
InChIInChI=1S/C11H19NO.HI/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9;/h9-10H,2-8H2,1H3;1H
InChIKeySSIZDHHMSIDMTC-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.60
Rot. Bonds3

About 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide

8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide (PubChem CID 172885108) has the molecular formula C11H20INO and a molecular weight of 309.19 g/mol. Its IUPAC name is 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide.

Molecular Properties

Compound Name8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
PubChem CID172885108
Molecular FormulaC11H20INO
Molecular Weight309.19 g/mol
Exact Mass309.06
IUPAC Name8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide
SMILESCCCCN1C2CCC1CC(=O)C2.I
InChIInChI=1S/C11H19NO.HI/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9;/h9-10H,2-8H2,1H3;1H
InChIKeySSIZDHHMSIDMTC-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide?
The IUPAC name of 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide (CID 172885108) is 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide.
What is the SMILES notation for 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide?
The canonical SMILES for 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide is CCCCN1C2CCC1CC(=O)C2.I.
What is the InChIKey of 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide?
The InChIKey is SSIZDHHMSIDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO.HI/c1-2-3-6-12-9-4-5-10(12)8-11(13)7-9;/h9-10H,2-8H2,1H3;1H.
What are the key properties of 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide?
8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide has a molecular weight of 309.19 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-8-azabicyclo[3.2.1]octan-3-one;hydroiodide is sourced from PubChem (CID 172885108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).