1-azabicyclo[5.3.1]undecan-11-one

C10H17NO — CID 102419974

IUPAC1-azabicyclo[5.3.1]undecan-11-one
SMILESO=C1C2CCCCCN1CCC2
InChIInChI=1S/C10H17NO/c12-10-9-5-2-1-3-7-11(10)8-4-6-9/h9H,1-8H2
InChIKeySDKREGJYBANLAE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.80
Rot. Bonds

About 1-azabicyclo[5.3.1]undecan-11-one

1-azabicyclo[5.3.1]undecan-11-one (PubChem CID 102419974) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-azabicyclo[5.3.1]undecan-11-one.

Molecular Properties

Compound Name1-azabicyclo[5.3.1]undecan-11-one
PubChem CID102419974
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-azabicyclo[5.3.1]undecan-11-one
SMILESO=C1C2CCCCCN1CCC2
InChIInChI=1S/C10H17NO/c12-10-9-5-2-1-3-7-11(10)8-4-6-9/h9H,1-8H2
InChIKeySDKREGJYBANLAE-UHFFFAOYSA-N
XLogP1.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[5.3.1]undecan-11-one?
The IUPAC name of 1-azabicyclo[5.3.1]undecan-11-one (CID 102419974) is 1-azabicyclo[5.3.1]undecan-11-one.
What is the SMILES notation for 1-azabicyclo[5.3.1]undecan-11-one?
The canonical SMILES for 1-azabicyclo[5.3.1]undecan-11-one is O=C1C2CCCCCN1CCC2.
What is the InChIKey of 1-azabicyclo[5.3.1]undecan-11-one?
The InChIKey is SDKREGJYBANLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10-9-5-2-1-3-7-11(10)8-4-6-9/h9H,1-8H2.
What are the key properties of 1-azabicyclo[5.3.1]undecan-11-one?
1-azabicyclo[5.3.1]undecan-11-one has a molecular weight of 167.25 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[5.3.1]undecan-11-one is sourced from PubChem (CID 102419974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).