9-oxa-13-azabicyclo[6.5.0]tridecane

C11H21NO — CID 43498400

IUPAC9-oxa-13-azabicyclo[6.5.0]tridecane
SMILESC1CCCC2OCCCNC2CC1
InChIInChI=1S/C11H21NO/c1-2-4-7-11-10(6-3-1)12-8-5-9-13-11/h10-12H,1-9H2
InChIKeyQUYZPWXMVSYZTI-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.09
Rot. Bonds

About 9-oxa-13-azabicyclo[6.5.0]tridecane

9-oxa-13-azabicyclo[6.5.0]tridecane (PubChem CID 43498400) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 9-oxa-13-azabicyclo[6.5.0]tridecane.

Molecular Properties

Compound Name9-oxa-13-azabicyclo[6.5.0]tridecane
PubChem CID43498400
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name9-oxa-13-azabicyclo[6.5.0]tridecane
SMILESC1CCCC2OCCCNC2CC1
InChIInChI=1S/C11H21NO/c1-2-4-7-11-10(6-3-1)12-8-5-9-13-11/h10-12H,1-9H2
InChIKeyQUYZPWXMVSYZTI-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-oxa-13-azabicyclo[6.5.0]tridecane?
The IUPAC name of 9-oxa-13-azabicyclo[6.5.0]tridecane (CID 43498400) is 9-oxa-13-azabicyclo[6.5.0]tridecane.
What is the SMILES notation for 9-oxa-13-azabicyclo[6.5.0]tridecane?
The canonical SMILES for 9-oxa-13-azabicyclo[6.5.0]tridecane is C1CCCC2OCCCNC2CC1.
What is the InChIKey of 9-oxa-13-azabicyclo[6.5.0]tridecane?
The InChIKey is QUYZPWXMVSYZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-4-7-11-10(6-3-1)12-8-5-9-13-11/h10-12H,1-9H2.
What are the key properties of 9-oxa-13-azabicyclo[6.5.0]tridecane?
9-oxa-13-azabicyclo[6.5.0]tridecane has a molecular weight of 183.29 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-oxa-13-azabicyclo[6.5.0]tridecane is sourced from PubChem (CID 43498400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).