1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

C10H17NO2 — CID 2755184

IUPAC1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCNCC12C=CC(C)(CC(O)C1)O2
InChIInChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyGYFKEMWJNPKAJW-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.44
Rot. Bonds2

About 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol

1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (PubChem CID 2755184) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.

Molecular Properties

Compound Name1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
PubChem CID2755184
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol
SMILESCNCC12C=CC(C)(CC(O)C1)O2
InChIInChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3
InChIKeyGYFKEMWJNPKAJW-UHFFFAOYSA-N
XLogP0.44
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.44
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-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The IUPAC name of 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol (CID 2755184) is 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol.
What is the SMILES notation for 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The canonical SMILES for 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is CNCC12C=CC(C)(CC(O)C1)O2.
What is the InChIKey of 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
The InChIKey is GYFKEMWJNPKAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9-3-4-10(13-9,7-11-2)6-8(12)5-9/h3-4,8,11-12H,5-7H2,1-2H3.
What are the key properties of 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol?
1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol has a molecular weight of 183.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylaminomethyl)-8-oxabicyclo[3.2.1]oct-6-en-3-ol is sourced from PubChem (CID 2755184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).