(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one

C11H17NO2 — CID 146162040

IUPAC(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
SMILESO=C1CC2C[C@]3(CCCN13)CC[C@@H]2O
InChIInChI=1S/C11H17NO2/c13-9-2-4-11-3-1-5-12(11)10(14)6-8(9)7-11/h8-9,13H,1-7H2/t8?,9-,11-/m0/s1
InChIKeyAOMFMKGPRSZHNS-PCFYAGROSA-N
MW195.26 g/mol
LogP0.91
Rot. Bonds

About (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one

(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one (PubChem CID 146162040) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one.

Molecular Properties

Compound Name(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
PubChem CID146162040
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
SMILESO=C1CC2C[C@]3(CCCN13)CC[C@@H]2O
InChIInChI=1S/C11H17NO2/c13-9-2-4-11-3-1-5-12(11)10(14)6-8(9)7-11/h8-9,13H,1-7H2/t8?,9-,11-/m0/s1
InChIKeyAOMFMKGPRSZHNS-PCFYAGROSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,7R,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
CID 11344826
7-Hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
CID 72810189
(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
CID 134834538
(1R,8R,9R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
CID 134834700
(1S,8R,9R)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 134857788
(1R,8R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
CID 146161812
(1S,8S,9R)-9-hydroxy-7-methylidene-5-azatricyclo[6.3.1.01,5]dodecan-4-one
CID 11171787
(1S,8R,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 11672849
9-Hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 73049816
(1S,7R,8S)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
CID 101017522
[(1S,8R,9S)-6-oxo-5-azatricyclo[6.3.1.01,5]dodecan-9-yl] acetate
CID 102174898
(1R,7R,8S,9S)-7,9-dihydroxy-5-azatricyclo[6.3.1.01,5]dodecan-4-one
CID 102286951

Frequently Asked Questions

What is the IUPAC name of (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one?
The IUPAC name of (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one (CID 146162040) is (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one.
What is the SMILES notation for (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one?
The canonical SMILES for (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one is O=C1CC2C[C@]3(CCCN13)CC[C@@H]2O.
What is the InChIKey of (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one?
The InChIKey is AOMFMKGPRSZHNS-PCFYAGROSA-N. The full InChI is InChI=1S/C11H17NO2/c13-9-2-4-11-3-1-5-12(11)10(14)6-8(9)7-11/h8-9,13H,1-7H2/t8?,9-,11-/m0/s1.
What are the key properties of (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one?
(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one has a molecular weight of 195.26 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one is sourced from PubChem (CID 146162040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).