9-methoxy-9-azabicyclo[6.1.0]nonane

C9H17NO — CID 11073653

IUPAC9-methoxy-9-azabicyclo[6.1.0]nonane
SMILESCON1C2CCCCCCC21
InChIInChI=1S/C9H17NO/c1-11-10-8-6-4-2-3-5-7-9(8)10/h8-9H,2-7H2,1H3
InChIKeyAKIJWBXPWKZJSX-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.95
Rot. Bonds1

About 9-methoxy-9-azabicyclo[6.1.0]nonane

9-methoxy-9-azabicyclo[6.1.0]nonane (PubChem CID 11073653) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 9-methoxy-9-azabicyclo[6.1.0]nonane.

Molecular Properties

Compound Name9-methoxy-9-azabicyclo[6.1.0]nonane
PubChem CID11073653
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name9-methoxy-9-azabicyclo[6.1.0]nonane
SMILESCON1C2CCCCCCC21
InChIInChI=1S/C9H17NO/c1-11-10-8-6-4-2-3-5-7-9(8)10/h8-9H,2-7H2,1H3
InChIKeyAKIJWBXPWKZJSX-UHFFFAOYSA-N
XLogP1.95
TPSA12.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-9-azabicyclo[6.1.0]nonane?
The IUPAC name of 9-methoxy-9-azabicyclo[6.1.0]nonane (CID 11073653) is 9-methoxy-9-azabicyclo[6.1.0]nonane.
What is the SMILES notation for 9-methoxy-9-azabicyclo[6.1.0]nonane?
The canonical SMILES for 9-methoxy-9-azabicyclo[6.1.0]nonane is CON1C2CCCCCCC21.
What is the InChIKey of 9-methoxy-9-azabicyclo[6.1.0]nonane?
The InChIKey is AKIJWBXPWKZJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-11-10-8-6-4-2-3-5-7-9(8)10/h8-9H,2-7H2,1H3.
What are the key properties of 9-methoxy-9-azabicyclo[6.1.0]nonane?
9-methoxy-9-azabicyclo[6.1.0]nonane has a molecular weight of 155.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-9-azabicyclo[6.1.0]nonane is sourced from PubChem (CID 11073653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).