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

C10H16ClNO — CID 91623919

IUPAC3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC#CCOC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-5-12-10-6-8-3-4-9(7-10)11-8;/h1,8-11H,3-7H2;1H
InChIKeyKKCAIYUWHDSSMD-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.34
Rot. Bonds2

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

3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 91623919) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID91623919
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC#CCOC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C10H15NO.ClH/c1-2-5-12-10-6-8-3-4-9(7-10)11-8;/h1,8-11H,3-7H2;1H
InChIKeyKKCAIYUWHDSSMD-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.34
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;hydrochloride?
The IUPAC name of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride (CID 91623919) is 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride is C#CCOC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is KKCAIYUWHDSSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-2-5-12-10-6-8-3-4-9(7-10)11-8;/h1,8-11H,3-7H2;1H.
What are the key properties of 3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride?
3-prop-2-ynoxy-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.34, 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;hydrochloride is sourced from PubChem (CID 91623919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).