3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane

C13H21NO — CID 68910424

IUPAC3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane
SMILESC(COCC1CC1)=C1CC2CCC(C1)N2
InChIInChI=1S/C13H21NO/c1-2-10(1)9-15-6-5-11-7-12-3-4-13(8-11)14-12/h5,10,12-14H,1-4,6-9H2
InChIKeyUQZLHOLFKKZYOV-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.25
Rot. Bonds4

About 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane

3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane (PubChem CID 68910424) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane
PubChem CID68910424
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane
SMILESC(COCC1CC1)=C1CC2CCC(C1)N2
InChIInChI=1S/C13H21NO/c1-2-10(1)9-15-6-5-11-7-12-3-4-13(8-11)14-12/h5,10,12-14H,1-4,6-9H2
InChIKeyUQZLHOLFKKZYOV-UHFFFAOYSA-N
XLogP2.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane (CID 68910424) is 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane is C(COCC1CC1)=C1CC2CCC(C1)N2.
What is the InChIKey of 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane?
The InChIKey is UQZLHOLFKKZYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-2-10(1)9-15-6-5-11-7-12-3-4-13(8-11)14-12/h5,10,12-14H,1-4,6-9H2.
What are the key properties of 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane?
3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane has a molecular weight of 207.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylmethoxy)ethylidene]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68910424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).