5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one

C10H15NO2 — CID 91192546

IUPAC5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESCN1C(=O)C2C3CCC(C3)C2C1O
InChIInChI=1S/C10H15NO2/c1-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h5-9,12H,2-4H2,1H3
InChIKeyHAMVIRGEHCJJHS-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.44
Rot. Bonds

About 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one

5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one (PubChem CID 91192546) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one.

Molecular Properties

Compound Name5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one
PubChem CID91192546
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one
SMILESCN1C(=O)C2C3CCC(C3)C2C1O
InChIInChI=1S/C10H15NO2/c1-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h5-9,12H,2-4H2,1H3
InChIKeyHAMVIRGEHCJJHS-UHFFFAOYSA-N
XLogP0.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The IUPAC name of 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one (CID 91192546) is 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one.
What is the SMILES notation for 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The canonical SMILES for 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one is CN1C(=O)C2C3CCC(C3)C2C1O.
What is the InChIKey of 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
The InChIKey is HAMVIRGEHCJJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-11-9(12)7-5-2-3-6(4-5)8(7)10(11)13/h5-9,12H,2-4H2,1H3.
What are the key properties of 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one?
5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decan-3-one is sourced from PubChem (CID 91192546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).