1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C9H15NO2 — CID 2755182

IUPAC1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCNCC12C=CC(CC(O)C1)O2
InChIInChI=1S/C9H15NO2/c1-10-6-9-3-2-8(12-9)4-7(11)5-9/h2-3,7-8,10-11H,4-6H2,1H3
InChIKeyZBJWBKMYJBMAQK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.05
Rot. Bonds2

About 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 2755182) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID2755182
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCNCC12C=CC(CC(O)C1)O2
InChIInChI=1S/C9H15NO2/c1-10-6-9-3-2-8(12-9)4-7(11)5-9/h2-3,7-8,10-11H,4-6H2,1H3
InChIKeyZBJWBKMYJBMAQK-UHFFFAOYSA-N
XLogP0.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 2755182) is 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is CNCC12C=CC(CC(O)C1)O2.
What is the InChIKey of 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is ZBJWBKMYJBMAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-9-3-2-8(12-9)4-7(11)5-9/h2-3,7-8,10-11H,4-6H2,1H3.
What are the key properties of 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 169.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 2755182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).