3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

C11H19NO2 — CID 131162982

IUPAC3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(COC)C1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H19NO2/c1-8(7-14-2)11(13)5-9-3-4-10(6-11)12-9/h9-10,12-13H,1,3-7H2,2H3
InChIKeyXUAYMKABLRKGKG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.83
Rot. Bonds3

About 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol

3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 131162982) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID131162982
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=C(COC)C1(O)CC2CCC(C1)N2
InChIInChI=1S/C11H19NO2/c1-8(7-14-2)11(13)5-9-3-4-10(6-11)12-9/h9-10,12-13H,1,3-7H2,2H3
InChIKeyXUAYMKABLRKGKG-UHFFFAOYSA-N
XLogP0.83
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Prop-1-en-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 79190119
3-(2,3-Dihydrofuran-4-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 130578957

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol (CID 131162982) is 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is C=C(COC)C1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XUAYMKABLRKGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(7-14-2)11(13)5-9-3-4-10(6-11)12-9/h9-10,12-13H,1,3-7H2,2H3.
What are the key properties of 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol?
3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 197.28 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 131162982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).