3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane

C11H14N2O — CID 143976869

IUPAC3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C11H14N2O/c1-14-11-3-10(4-12-5-11)13-6-8-2-9(8)7-13/h3-5,8-9H,2,6-7H2,1H3
InChIKeyWVHYAIBGBFBIGR-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.55
Rot. Bonds2

About 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane

3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 143976869) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
PubChem CID143976869
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
SMILESCOc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C11H14N2O/c1-14-11-3-10(4-12-5-11)13-6-8-2-9(8)7-13/h3-5,8-9H,2,6-7H2,1H3
InChIKeyWVHYAIBGBFBIGR-UHFFFAOYSA-N
XLogP1.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane (CID 143976869) is 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane is COc1cncc(N2CC3CC3C2)c1.
What is the InChIKey of 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is WVHYAIBGBFBIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-14-11-3-10(4-12-5-11)13-6-8-2-9(8)7-13/h3-5,8-9H,2,6-7H2,1H3.
What are the key properties of 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane?
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 190.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 143976869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).