5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one

C11H17NO2 — CID 130147737

IUPAC5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one
SMILESO=C1CC2C(O)CCC3CCCN1C32
InChIInChI=1S/C11H17NO2/c13-9-4-3-7-2-1-5-12-10(14)6-8(9)11(7)12/h7-9,11,13H,1-6H2
InChIKeyMLQWRVDCABUZSZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.77
Rot. Bonds

About 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one

5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one (PubChem CID 130147737) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one
PubChem CID130147737
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one
SMILESO=C1CC2C(O)CCC3CCCN1C32
InChIInChI=1S/C11H17NO2/c13-9-4-3-7-2-1-5-12-10(14)6-8(9)11(7)12/h7-9,11,13H,1-6H2
InChIKeyMLQWRVDCABUZSZ-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one?
The IUPAC name of 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one (CID 130147737) is 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one.
What is the SMILES notation for 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one?
The canonical SMILES for 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one is O=C1CC2C(O)CCC3CCCN1C32.
What is the InChIKey of 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one?
The InChIKey is MLQWRVDCABUZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-9-4-3-7-2-1-5-12-10(14)6-8(9)11(7)12/h7-9,11,13H,1-6H2.
What are the key properties of 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one?
5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one has a molecular weight of 195.26 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-azatricyclo[6.3.1.04,12]dodecan-2-one is sourced from PubChem (CID 130147737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).