8-propyl-8-azabicyclo[3.2.1]octan-3-one

C10H17NO — CID 23383579

IUPAC8-propyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3
InChIKeyCNUAQXNYPHDMAG-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.59
Rot. Bonds2

About 8-propyl-8-azabicyclo[3.2.1]octan-3-one

8-propyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 23383579) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 8-propyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-propyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID23383579
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name8-propyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCCCN1C2CCC1CC(=O)C2
InChIInChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3
InChIKeyCNUAQXNYPHDMAG-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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 8-propyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-propyl-8-azabicyclo[3.2.1]octan-3-one (CID 23383579) is 8-propyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-propyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-propyl-8-azabicyclo[3.2.1]octan-3-one is CCCN1C2CCC1CC(=O)C2.
What is the InChIKey of 8-propyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CNUAQXNYPHDMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-11-8-3-4-9(11)7-10(12)6-8/h8-9H,2-7H2,1H3.
What are the key properties of 8-propyl-8-azabicyclo[3.2.1]octan-3-one?
8-propyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 23383579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).