5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol

C10H17NO2 — CID 163594986

IUPAC5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCOC1(C)NC2C(O)C3CC2C1C3
InChIInChI=1S/C10H17NO2/c1-10(13-2)7-4-5-3-6(7)8(11-10)9(5)12/h5-9,11-12H,3-4H2,1-2H3
InChIKeyGSQZQJUQFZPHDK-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.34
Rot. Bonds1

About 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol

5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 163594986) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID163594986
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
SMILESCOC1(C)NC2C(O)C3CC2C1C3
InChIInChI=1S/C10H17NO2/c1-10(13-2)7-4-5-3-6(7)8(11-10)9(5)12/h5-9,11-12H,3-4H2,1-2H3
InChIKeyGSQZQJUQFZPHDK-UHFFFAOYSA-N
XLogP0.34
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol (CID 163594986) is 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol is COC1(C)NC2C(O)C3CC2C1C3.
What is the InChIKey of 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is GSQZQJUQFZPHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(13-2)7-4-5-3-6(7)8(11-10)9(5)12/h5-9,11-12H,3-4H2,1-2H3.
What are the key properties of 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol?
5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 183.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-5-methyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 163594986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).