3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride

C10H18ClNO — CID 126845439

IUPAC3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOCC=C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C10H17NO.ClH/c1-12-5-4-8-6-9-2-3-10(7-8)11-9;/h4,9-11H,2-3,5-7H2,1H3;1H
InChIKeyHVHAOCPBVJNWCD-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.90
Rot. Bonds2

About 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride

3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126845439) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126845439
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCOCC=C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C10H17NO.ClH/c1-12-5-4-8-6-9-2-3-10(7-8)11-9;/h4,9-11H,2-3,5-7H2,1H3;1H
InChIKeyHVHAOCPBVJNWCD-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
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-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126845439) is 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride is COCC=C1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is HVHAOCPBVJNWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-12-5-4-8-6-9-2-3-10(7-8)11-9;/h4,9-11H,2-3,5-7H2,1H3;1H.
What are the key properties of 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride?
3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126845439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).