3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane

C10H15NO — CID 91623920

IUPAC3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane
SMILESC#CCOC1CC2CCC(C1)N2
InChIInChI=1S/C10H15NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h1,8-11H,3-7H2
InChIKeyQXWZHHLPWTUUQP-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.92
Rot. Bonds2

About 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane

3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane (PubChem CID 91623920) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane
PubChem CID91623920
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane
SMILESC#CCOC1CC2CCC(C1)N2
InChIInChI=1S/C10H15NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h1,8-11H,3-7H2
InChIKeyQXWZHHLPWTUUQP-UHFFFAOYSA-N
XLogP0.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane (CID 91623920) is 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane is C#CCOC1CC2CCC(C1)N2.
What is the InChIKey of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is QXWZHHLPWTUUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h1,8-11H,3-7H2.
What are the key properties of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane?
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 165.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 91623920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).