(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol

C9H15NO3 — CID 91753263

IUPAC(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol
SMILESCOC[C@@]12O[C@@H]1CN1CCC(O)[C@@H]12
InChIInChI=1S/C9H15NO3/c1-12-5-9-7(13-9)4-10-3-2-6(11)8(9)10/h6-8,11H,2-5H2,1H3/t6?,7-,8-,9-/m1/s1
InChIKeyBYURGVBMCJUJQD-FUZJYRNYSA-N
MW185.22 g/mol
LogP-0.78
Rot. Bonds2

About (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol

(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol (PubChem CID 91753263) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol.

Molecular Properties

Compound Name(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol
PubChem CID91753263
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol
SMILESCOC[C@@]12O[C@@H]1CN1CCC(O)[C@@H]12
InChIInChI=1S/C9H15NO3/c1-12-5-9-7(13-9)4-10-3-2-6(11)8(9)10/h6-8,11H,2-5H2,1H3/t6?,7-,8-,9-/m1/s1
InChIKeyBYURGVBMCJUJQD-FUZJYRNYSA-N
XLogP-0.78
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol?
The IUPAC name of (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol (CID 91753263) is (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol.
What is the SMILES notation for (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol?
The canonical SMILES for (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol is COC[C@@]12O[C@@H]1CN1CCC(O)[C@@H]12.
What is the InChIKey of (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol?
The InChIKey is BYURGVBMCJUJQD-FUZJYRNYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-5-9-7(13-9)4-10-3-2-6(11)8(9)10/h6-8,11H,2-5H2,1H3/t6?,7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol?
(1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol has a molecular weight of 185.22 g/mol, XLogP of -0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R)-2-(methoxymethyl)-3-oxa-6-azatricyclo[4.3.0.02,4]nonan-9-ol is sourced from PubChem (CID 91753263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).