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

C10H17NO — CID 123258074

IUPAC3-prop-2-enoxy-8-azabicyclo[3.2.1]octane
SMILESC=CCOC1CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h2,8-11H,1,3-7H2
InChIKeyZDMUEGQRDAASAQ-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.47
Rot. Bonds3

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

3-prop-2-enoxy-8-azabicyclo[3.2.1]octane (PubChem CID 123258074) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-prop-2-enoxy-8-azabicyclo[3.2.1]octane
PubChem CID123258074
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-prop-2-enoxy-8-azabicyclo[3.2.1]octane
SMILESC=CCOC1CC2CCC(C1)N2
InChIInChI=1S/C10H17NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h2,8-11H,1,3-7H2
InChIKeyZDMUEGQRDAASAQ-UHFFFAOYSA-N
XLogP1.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane (CID 123258074) is 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane is C=CCOC1CC2CCC(C1)N2.
What is the InChIKey of 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is ZDMUEGQRDAASAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-12-10-6-8-3-4-9(7-10)11-8/h2,8-11H,1,3-7H2.
What are the key properties of 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane?
3-prop-2-enoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 167.25 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 123258074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).