(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione

C11H15NO3 — CID 134834538

IUPAC(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
SMILESO=C1CC[C@]23CCC(=O)N2C[C@@H](O)[C@H]1C3
InChIInChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m0/s1
InChIKeyHOZZNJHNXPOLFQ-JVUFJMBOSA-N
MW209.24 g/mol
LogP0.09
Rot. Bonds

About (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione

(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione (PubChem CID 134834538) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione.

Molecular Properties

Compound Name(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
PubChem CID134834538
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione
SMILESO=C1CC[C@]23CCC(=O)N2C[C@@H](O)[C@H]1C3
InChIInChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m0/s1
InChIKeyHOZZNJHNXPOLFQ-JVUFJMBOSA-N
XLogP0.09
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione with MolForge

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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
(1S,8R,9R)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 134857788
(1S,9S)-9-hydroxy-5-azatricyclo[6.3.1.01,5]dodecan-6-one
CID 146162040
(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
(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 (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The IUPAC name of (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione (CID 134834538) is (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione.
What is the SMILES notation for (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The canonical SMILES for (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione is O=C1CC[C@]23CCC(=O)N2C[C@@H](O)[C@H]1C3.
What is the InChIKey of (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
The InChIKey is HOZZNJHNXPOLFQ-JVUFJMBOSA-N. The full InChI is InChI=1S/C11H15NO3/c13-8-1-3-11-4-2-10(15)12(11)6-9(14)7(8)5-11/h7,9,14H,1-6H2/t7-,9+,11+/m0/s1.
What are the key properties of (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione?
(1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione has a molecular weight of 209.24 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,7S,8R)-7-hydroxy-5-azatricyclo[6.3.1.01,5]dodecane-4,9-dione is sourced from PubChem (CID 134834538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).