5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one

C11H17NO2 — CID 58956863

IUPAC5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one
SMILESO=C1CN2C3CCC(O)CC2CC1C3
InChIInChI=1S/C11H17NO2/c13-10-2-1-8-3-7-4-9(5-10)12(8)6-11(7)14/h7-10,13H,1-6H2
InChIKeyCRWQKPWLNQYHJL-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.56
Rot. Bonds

About 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one

5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one (PubChem CID 58956863) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one.

Molecular Properties

Compound Name5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one
PubChem CID58956863
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one
SMILESO=C1CN2C3CCC(O)CC2CC1C3
InChIInChI=1S/C11H17NO2/c13-10-2-1-8-3-7-4-9(5-10)12(8)6-11(7)14/h7-10,13H,1-6H2
InChIKeyCRWQKPWLNQYHJL-UHFFFAOYSA-N
XLogP0.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one?
The IUPAC name of 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one (CID 58956863) is 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one.
What is the SMILES notation for 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one?
The canonical SMILES for 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one is O=C1CN2C3CCC(O)CC2CC1C3.
What is the InChIKey of 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one?
The InChIKey is CRWQKPWLNQYHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10-2-1-8-3-7-4-9(5-10)12(8)6-11(7)14/h7-10,13H,1-6H2.
What are the key properties of 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one?
5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one has a molecular weight of 195.26 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-9-azatricyclo[6.3.1.03,9]dodecan-11-one is sourced from PubChem (CID 58956863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).