3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene

C9H15NO — CID 170152484

IUPAC3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCOC1CC2C=CC(C1)N2C
InChIInChI=1S/C9H15NO/c1-10-7-3-4-8(10)6-9(5-7)11-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYHNFAJMZFJRAER-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.03
Rot. Bonds1

About 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene

3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene (PubChem CID 170152484) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene.

Molecular Properties

Compound Name3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene
PubChem CID170152484
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene
SMILESCOC1CC2C=CC(C1)N2C
InChIInChI=1S/C9H15NO/c1-10-7-3-4-8(10)6-9(5-7)11-2/h3-4,7-9H,5-6H2,1-2H3
InChIKeyYHNFAJMZFJRAER-UHFFFAOYSA-N
XLogP1.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene?
The IUPAC name of 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene (CID 170152484) is 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene.
What is the SMILES notation for 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene?
The canonical SMILES for 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene is COC1CC2C=CC(C1)N2C.
What is the InChIKey of 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene?
The InChIKey is YHNFAJMZFJRAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-7-3-4-8(10)6-9(5-7)11-2/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene?
3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene has a molecular weight of 153.22 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-methyl-8-azabicyclo[3.2.1]oct-6-ene is sourced from PubChem (CID 170152484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).